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EVODEX.1-P2620

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C:5]([C@:6]([N:7]([H:18])[H:19])([C:8](=[O:9])[O:10][H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][O:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[C:5]([C@:6]([N:7]([H:18])[H:19])([C:8](=[O:9])[O:10][H:20])[H:21])([O:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:22])[H:23].[H][O:4][C:2]([C:1]([H:24])([H:25])[H:26])=[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-R3356

Full Reaction Rendering

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