EVODEX.1-P2655

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20].[C:1]([C:2](=[O:3])[O:4][C:5]([C:6]([C@:7]([N:8]([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40]>>[C:5]([C:6]([C@:7]([N:8]([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])[H:33])([H:34])[H:35])([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:36])[H:37].[H][O:4][C:2]([C:1]([H:38])([H:39])[H:40])=[O:3]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E184 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#8:8]-[#6:9](-[#6:10])(-[H:60])-[H:61].[#6:39]-[#8:41]-[H]>>[#6:9](-[#6:10])(-[#8:41]-[#6:39])(-[H:60])-[H:61].[#6:6]-[#8:8]-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N482 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#8:8]-[#6:9](-[#6:10])(-[H:60])-[H:61].[H]-[#8:41]-[#6:39]>>[#6:9](-[#6:10])(-[#8:41]-[#6:39])(-[H:60])-[H:61].[H]-[#8:8]-[#6:6]

EVODEX.1-Em519 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#8:8]-[#6:9]-[#6:10].[H]-[#8:41]-[#6:39]>>[#6:9](-[#6:10])-[#8:41]-[#6:39].[H]-[#8:8]-[#6:6]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm470 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#8:8]-[#6:9]-[#6:10].[H]-[#8:41]-[#6:39]>>[#6:9](-[#6:10])-[#8:41]-[#6:39].[H]-[#8:8]-[#6:6]

Source Full Reactions

EVODEX.1-R3389

Full Reaction Rendering

[H][O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20].[C:1]([C:2](=[O:3])[O:4][C:5]([C:6]([C@:7]([N:8]([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40]>>[C:5]([C:6]([C@:7]([N:8]([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])[H:33])([H:34])[H:35])([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:36])[H:37].[H][O:4][C:2]([C:1]([H:38])([H:39])[H:40])=[O:3]