EVODEX.1-P2636

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:4][C:2]([C:1]([H:18])([H:19])[H:20])=[O:3].[C:5]([C:6]([C:7]([H:21])([H:22])[H:23])([C:8]([H:24])([H:25])[H:26])[S:9][C:10]([C:11]([C@:12]([N:13]([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[C:1]([C:2](=[O:3])[O:4][C:10]([C:11]([C@:12]([N:13]([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:18])([H:19])[H:20].[H][S:9][C:6]([C:5]([H:35])([H:36])[H:37])([C:7]([H:21])([H:22])[H:23])[C:8]([H:24])([H:25])[H:26]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E174 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](-[#16:5]-[#6:6])(-[H:28])-[H:29].[#8:15](-[#6:16])-[H]>>[#6:3]-[#6:4](-[#8:15]-[#6:16])(-[H:28])-[H:29].[#16:5](-[#6:6])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N1098 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:4]-[#6:2].[#6:6]-[#16:8]-[#6:9](-[#6:10])(-[H:26])-[H:27]>>[#6:2]-[#8:4]-[#6:9](-[#6:10])(-[H:26])-[H:27].[H]-[#16:8]-[#6:6]

EVODEX.1-Em521 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:4]-[#6:2].[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6:2]-[#8:4]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm472 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:4]-[#6:2].[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6:2]-[#8:4]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]

Source Full Reactions

EVODEX.1-R3375

Full Reaction Rendering

[H][O:4][C:2]([C:1]([H:18])([H:19])[H:20])=[O:3].[C:5]([C:6]([C:7]([H:21])([H:22])[H:23])([C:8]([H:24])([H:25])[H:26])[S:9][C:10]([C:11]([C@:12]([N:13]([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[C:1]([C:2](=[O:3])[O:4][C:10]([C:11]([C@:12]([N:13]([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:18])([H:19])[H:20].[H][S:9][C:6]([C:5]([H:35])([H:36])[H:37])([C:7]([H:21])([H:22])[H:23])[C:8]([H:24])([H:25])[H:26]