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EVODEX.1-P3995

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E398 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22]>>[#6:15]-[#6:16](=[#8:17])-[#8]-[H].[#6:18](-[#8:19])(-[#6:20])(-[#6:22])-[H]

EVODEX.1-C38 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:10]-[#6:11]>>[H]-[#6:10].[H]-[#8]-[#6:11]

EVODEX.1-N633 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22]>>[H]-[#8]-[#6:16](-[#6:15])=[#8:17].[H]-[#6:18](-[#8:19])(-[#6:20])-[#6:22]

EVODEX.1-Em601 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22]>>[H]-[#8]-[#6:16](-[#6:15])=[#8:17].[H]-[#6:18](-[#8:19])(-[#6:20])-[#6:22]

EVODEX.1-Cm81 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]-[#6:11]>>[H]-[#6:10].[#8]-[#6:11]

EVODEX.1-Nm537 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22]>>[H]-[#8]-[#6:16](-[#6:15])=[#8:17].[H]-[#6:18](-[#8:19])(-[#6:20])-[#6:22]

Source Full Reactions

EVODEX.1-R4842

Full Reaction Rendering

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