EVODEX.1-P991

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([N:1]([H:36])[H:37])([C:3]([C:4]([S:5][C:6]([C@@:7]1([H:21])[O:8][C@:9]([O:10][H:22])([H:23])[C@@:11]([O:12][H:24])([H:25])[C@@:13]1([O:14][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[C:15](=[O:16])[O:17][H:34].[O:19]=[O:20].[H][O:18][H]>>[C:2]([C:3]([C:4]([S:5][C:6]([C@@:7]1([H:21])[O:8][C@:9]([O:10][H:22])([H:23])[C@@:11]([O:12][H:24])([H:25])[C@@:13]1([O:14][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([C:15](=[O:16])[O:17][H:34])=[O:18].[H][N:1]([H:36])[H:37].[H][O:19][O:20][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C29 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-N45 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9].[#8:17]=[#8:18].[H]-[#8:16]-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:16].[H]-[#7:1](-[H:29])-[H:30].[H]-[#8:17]-[#8:18]-[H]

EVODEX.1-Em353 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8:13].[H]-[#7:1].[H]-[#8:14]-[#8:15]-[H]

EVODEX.1-Cm68 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-Nm118 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9].[#8:17]=[#8:18].[H]-[#8:16]-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:16].[H]-[#7:1].[H]-[#8:17]-[#8:18]-[H]

Source Full Reactions

EVODEX.1-R964

Full Reaction Rendering

[H][C@:2]([N:1]([H:36])[H:37])([C:3]([C:4]([S:5][C:6]([C@@:7]1([H:21])[O:8][C@:9]([O:10][H:22])([H:23])[C@@:11]([O:12][H:24])([H:25])[C@@:13]1([O:14][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[C:15](=[O:16])[O:17][H:34].[O:19]=[O:20].[H][O:18][H]>>[C:2]([C:3]([C:4]([S:5][C:6]([C@@:7]1([H:21])[O:8][C@:9]([O:10][H:22])([H:23])[C@@:11]([O:12][H:24])([H:25])[C@@:13]1([O:14][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([C:15](=[O:16])[O:17][H:34])=[O:18].[H][N:1]([H:36])[H:37].[H][O:19][O:20][H]