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EVODEX.1-P4873

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5666

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([C:11]([C:12]([H:28])([H:29])[H:30])=[O:13])[H:31])([C:14](=[O:15])[N:16]([C@:17]([C:18]([H:32])([H:33])[H:34])([C:19](=[O:20])[O:21][C@:22]([C:23]([H:35])([H:36])[H:37])([C:24](=[O:25])[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][O:27][H:55]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([C:11]([C:12]([H:28])([H:29])[H:30])=[O:13])[H:31])([C:14](=[O:15])[N:16]([C@:17]([C:18]([H:32])([H:33])[H:34])([C:19](=[O:20])[O:27][H:55])[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][O:21][C@:22]([C:23]([H:35])([H:36])[H:37])([C:24](=[O:25])[O:26][H:38])[H:39]