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EVODEX.1-P3992

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E357 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H].[#8:4](-[#6:5])-[H]

EVODEX.1-C7 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N54 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19](-[#6@:17])(=[#8:20])-[#8:21]-[#6@:22]>>[H]-[#8]-[#6:19](-[#6@:17])=[#8:20].[H]-[#8:21]-[#6@:22]

EVODEX.1-Em593 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:19](=[#8:20])-[#8:21]-[#6:22]>>[H]-[#8]-[#6:19](-[#6:17])=[#8:20].[H]-[#8:21]-[#6:22]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm148 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:19](=[#8:20])-[#8:21]-[#6:22]>>[H]-[#8]-[#6:19](-[#6:17])=[#8:20].[H]-[#8:21]-[#6:22]

Source Full Reactions

EVODEX.1-R4839

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:28])([C:14]([O:15][C@@:16]1([H:29])[O:17][C@@:18]([C:19]([O:20][H:30])([H:31])[H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@@:23]([O:24][H:36])([H:37])[C@:25]1([O:26][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][O:27][H:60]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:27][H:60])([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][O:10][C:11]([C@:12]([O:13][H:28])([C:14]([O:15][C@@:16]1([H:29])[O:17][C@@:18]([C:19]([O:20][H:30])([H:31])[H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@@:23]([O:24][H:36])([H:37])[C@:25]1([O:26][H:38])[H:39])([H:40])[H:41])[H:42])([H:43])[H:44]