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EVODEX.1-P313

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C:22]1([H:54])[C@:3]2([H:35])[N:2]([C:1]([H:55])([H:56])[H:57])[C@@:19]([H:50])([C:18]([H:48])([H:49])[C@:5]([O:6][C:7](=[O:8])[C@:9]([C:10]([O:11][H:38])([H:39])[H:40])([C:12]3:[C:13]([H:41]):[C:14]([H:42]):[C:15]([H:43]):[C:16]([H:44]):[C:17]:3[H:45])[H:46])([H:47])[C:4]2([H:36])[H:37])[C@:20]1([O:21][H:51])[H:52]>>[H][C:22]1([H:54])[C@:3]2([H:35])[N:2]([C:1]([H:55])([H:56])[H:57])[C@@:19]([H:50])([C:18]([H:48])([H:49])[C@:5]([O:6][C:7](=[O:8])[C@:9]([C:10]([O:11][H:38])([H:39])[H:40])([C:12]3:[C:13]([H:41]):[C:14]([H:42]):[C:15]([H:43]):[C:16]([H:44]):[C:17]:3[H:45])[H:46])([H:47])[C:4]2([H:36])[H:37])[C@:20]1([O:21][H:51])[H:52].O=[O:23]

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-R344

Full Reaction Rendering

[H][O:23][C:22]1([H:54])[C@:3]2([H:35])[N:2]([C:1]([H:55])([H:56])[H:57])[C@@:19]([H:50])([C:18]([H:48])([H:49])[C@:5]([O:6][C:7](=[O:8])[C@:9]([C:10]([O:11][H:38])([H:39])[H:40])([C:12]3:[C:13]([H:41]):[C:14]([H:42]):[C:15]([H:43]):[C:16]([H:44]):[C:17]:3[H:45])[H:46])([H:47])[C:4]2([H:36])[H:37])[C@:20]1([O:21][H:51])[H:52].[H][O:31][C:29]([C:28]([C:27]([C:25](=[O:24])[O:26][H:58])([H:62])[H:63])([H:60])[H:61])=[O:30].[O:32]=[C:33]=[O:34]>>[H][C:22]1([H:54])[C@:3]2([H:35])[N:2]([C:1]([H:55])([H:56])[H:57])[C@@:19]([H:50])([C:18]([H:48])([H:49])[C@:5]([O:6][C:7](=[O:8])[C@:9]([C:10]([O:11][H:38])([H:39])[H:40])([C:12]3:[C:13]([H:41]):[C:14]([H:42]):[C:15]([H:43]):[C:16]([H:44]):[C:17]:3[H:45])[H:46])([H:47])[C:4]2([H:36])[H:37])[C@:20]1([O:21][H:51])[H:52].[O:23]=[O:31].[H][O:32][C:33]([C:29]([C:28]([C:27]([C:25](=[O:24])[O:26][H:58])([H:62])[H:63])([H:60])[H:61])=[O:30])=[O:34]