O
HN
O
N
O
S
N
O
H
H
-
H
2
O
Reactant
D
G
-1338.199761
(0.0)
H
H
403K,
3h,
S
8
,
TsOH
H
H
H
Mor
S
n
S
Mor
Mor
S
H
Mor
O
NH
-
Mor-S
n
-
Int2
D
G
4.4
Int3
D
G
50.0
TS1
D
G
13.6
TS3
D
G
58.6
N
O
S
Mor
H
Int1
D
G
9.3
Mor-S
n
-
=
O
N
S
n
-
(n=7)
BH
+
H
N
O
S
Mor
H
B
B
=
NH
3
B
TS2
D
G
9.3
N
O
S
Mor
H
B
H
N
O
S
Mor
H
H
Int4
D
G
21.4
Product
D
G
-1.1
N
O
S
Mor
H
H
S
n
Mor
B
TS4
D
G
38.2
N
O
S
Mor
BH
+
H
B
TS7
D
G
16.6
+
Mor-S
n
-
Int6
D
G
8.8
N
O
S
Mor
H
B
H
Int5
D
G
34.3
N
O
S
Mor
BH
+
TS5
D
G
59.5
H
TS6
64.3
N
O
S
Mor
H
BH
+
+
HI1
=
hidden
intermediates
HI2