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EVODEX.1-P311

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:9][C:8]([C@:6]([C:5]([N+:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:24])([H:25])[H:26])[C:4]([H:27])([H:28])[H:29])([H:35])[H:36])([O:7][H:30])[H:34])([C:10](=[O:11])[O:12][H:32])[H:33]>>[H][C:8]([C@:6]([C:5]([N+:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:24])([H:25])[H:26])[C:4]([H:27])([H:28])[H:29])([H:35])[H:36])([O:7][H:30])[H:34])([C:10](=[O:11])[O:12][H:32])[H:33].O=[O:9]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E419 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:23](-[#6@@:15])(-[#8:24]-[H])(-[#6:25])-[H:171]>>[#6:23](-[#6@@:15])(-[#6:25])(-[H:171])-[H].[#8:24]=[#8]

EVODEX.1-C209 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:4]-[#6:3]>>[H]-[#6:3].[#8]=[#8:4]

EVODEX.1-N149 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:4]-[#6:3](-[#6:2])(-[#6:5])-[H:31]>>[H]-[#6:3](-[#6:2])(-[#6:5])-[H:31].[#8]=[#8:4]

EVODEX.1-Em231 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:4]-[#6:3](-[#6:2])-[#6:5]>>[H]-[#6:3](-[#6:2])-[#6:5].[#8]=[#8:4]

EVODEX.1-Cm187 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:4]-[#6:3]>>[H]-[#6:3].[#8]=[#8:4]

EVODEX.1-Nm229 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:4]-[#6:3](-[#6:2])-[#6:5]>>[H]-[#6:3](-[#6:2])-[#6:5].[#8]=[#8:4]

Source Full Reactions

EVODEX.1-R342

Full Reaction Rendering

[H][O:9][C:8]([C@:6]([C:5]([N+:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:24])([H:25])[H:26])[C:4]([H:27])([H:28])[H:29])([H:35])[H:36])([O:7][H:30])[H:34])([C:10](=[O:11])[O:12][H:32])[H:33].[H][O:20][C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:40])([H:44])[H:45])([H:42])[H:43])=[O:19].[O:21]=[C:22]=[O:23]>>[H][C:8]([C@:6]([C:5]([N+:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:24])([H:25])[H:26])[C:4]([H:27])([H:28])[H:29])([H:35])[H:36])([O:7][H:30])[H:34])([C:10](=[O:11])[O:12][H:32])[H:33].[H][O:21][C:22]([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:40])([H:44])[H:45])([H:42])[H:43])=[O:19])=[O:23].[O:9]=[O:20]