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EVODEX.1-P398

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:25][C@@:24]1([H:39])[C@@:17]([N:16]2:[C:15]([H:30]):[C:14]([H:29]):[C:13](=[O:12]):[N:28]([H:40]):[C:26]:2=[O:27])([H:31])[O:18][C@@:19]([C:20]([O:21][H:32])([H:33])[H:34])([H:35])[C@:22]1([O:23][H:36])[H:37]>>[H][C:24]1([H:39])[C@@:17]([N:16]2:[C:15]([H:30]):[C:14]([H:29]):[C:13](=[O:12]):[N:28]([H:40]):[C:26]:2=[O:27])([H:31])[O:18][C@@:19]([C:20]([O:21][H:32])([H:33])[H:34])([H:35])[C@:22]1([O:23][H:36])[H:37].O=[O:25]

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-R392

Full Reaction Rendering

[H][O:25][C@@:24]1([H:39])[C@@:17]([N:16]2:[C:15]([H:30]):[C:14]([H:29]):[C:13](=[O:12]):[N:28]([H:40]):[C:26]:2=[O:27])([H:31])[O:18][C@@:19]([C:20]([O:21][H:32])([H:33])[H:34])([H:35])[C@:22]1([O:23][H:36])[H:37].[H][O:8][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:41])([H:45])[H:46])([H:43])[H:44])=[O:7].[O:9]=[C:10]=[O:11]>>[H][C:24]1([H:39])[C@@:17]([N:16]2:[C:15]([H:30]):[C:14]([H:29]):[C:13](=[O:12]):[N:28]([H:40]):[C:26]:2=[O:27])([H:31])[O:18][C@@:19]([C:20]([O:21][H:32])([H:33])[H:34])([H:35])[C@:22]1([O:23][H:36])[H:37].[H][O:9][C:10]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:41])([H:45])[H:46])([H:43])[H:44])=[O:7])=[O:11].[O:8]=[O:25]