EVODEX Logo

EVODEX.1-P4117

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

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-Em588 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3](-[#6:4]=[#6:5])-[#8:13]-[#6:14]>>[H]-[#8:13]-[#6:14].[H]-[#8]-[#6:3](=[#8:2])-[#6:4]=[#6:5]

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-R4958

Full Reaction Rendering

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