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EVODEX.1-P2650

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R3386

Full Reaction Rendering

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