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EVODEX.1-P4068

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:10][C:11]([C@@:12]([O:13][H:27])([C:14]([O:15][P:16](=[O:17])([O:18][H:28])[O:19][C:20]([C:21]([N+:22]([C:23]([H:29])([H:30])[H:31])([C:24]([H:32])([H:33])[H:34])[C:25]([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][O:10][C:11]([C@@:12]([O:13][H:27])([C:14]([O:15][P:16](=[O:17])([O:18][H:28])[O:19][C:20]([C:21]([N+:22]([C:23]([H:29])([H:30])[H:31])([C:24]([H:32])([H:33])[H:34])[C:25]([H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])[H:46]

Derived Operators

EVODEX.1-F8 - Elemental Balance

O-1
C-8
H-14

EVODEX.1-M92 - Mass Difference

-126.10452

EVODEX.1-E334 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:10]-[#6:11])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:10](-[#6:11])-[H]

EVODEX.1-C286 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:10]>>[H]-[#8:10]

EVODEX.1-N321 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:10]-[#6:11]>>[H]-[#8:10]-[#6:11]

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4913

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C@@:12]([O:13][H:27])([C:14]([O:15][P:16](=[O:17])([O:18][H:28])[O:19][C:20]([C:21]([N+:22]([C:23]([H:29])([H:30])[H:31])([C:24]([H:32])([H:33])[H:34])[C:25]([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:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H][O:26][H:62]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:26][H:62])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H][O:10][C:11]([C@@:12]([O:13][H:27])([C:14]([O:15][P:16](=[O:17])([O:18][H:28])[O:19][C:20]([C:21]([N+:22]([C:23]([H:29])([H:30])[H:31])([C:24]([H:32])([H:33])[H:34])[C:25]([H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])[H:46]