EVODEX.1-P2094

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:5][C:4]([C:3]([N:2]([C:1]([H:39])([H:40])[H:41])[H:38])([H:36])[H:37])([H:34])[H:35].[C:6]([O:7][C:8]1:[C:9]([H:42]):[C:10]([C:11](=[C:12]([C:13](=[O:14])[O:15][C@:16]2([H:43])[O:17][C@@:18]([C:19]([O:20][H:44])([H:45])[H:46])([H:47])[C@:21]([O:22][H:48])([H:49])[C@@:23]([O:24][H:50])([H:51])[C@:25]2([O:26][H:52])[H:53])[H:54])[H:55]):[C:27]([H:56]):[C:28]([O:29][C:30]([H:57])([H:58])[H:59]):[C:31]:1[O:32][H:60])([H:61])([H:62])[H:63]>>[C:1]([N:2]([C:3]([C:4]([O:5][C:13]([C:12](=[C:11]([C:10]1:[C:9]([H:42]):[C:8]([O:7][C:6]([H:61])([H:62])[H:63]):[C:31]([O:32][H:60]):[C:28]([O:29][C:30]([H:57])([H:58])[H:59]):[C:27]:1[H:56])[H:55])[H:54])=[O:14])([H:34])[H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41].[H][O:15][C@:16]1([H:43])[O:17][C@@:18]([C:19]([O:20][H:44])([H:45])[H:46])([H:47])[C@:21]([O:22][H:48])([H:49])[C@@:23]([O:24][H:50])([H:51])[C@:25]1([O:26][H:52])[H:53]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N73 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

EVODEX.1-Em466 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#6:4](=[#8:5])-[#8:6]-[#6:7].[H]-[#8:8]-[#6:9]>>[#6:1]=[#6:2]-[#6:4](=[#8:5])-[#8:8]-[#6:9].[H]-[#8:6]-[#6:7]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm128 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R2852

Full Reaction Rendering

[H][O:5][C:4]([C:3]([N:2]([C:1]([H:39])([H:40])[H:41])[H:38])([H:36])[H:37])([H:34])[H:35].[C:6]([O:7][C:8]1:[C:9]([H:42]):[C:10]([C:11](=[C:12]([C:13](=[O:14])[O:15][C@:16]2([H:43])[O:17][C@@:18]([C:19]([O:20][H:44])([H:45])[H:46])([H:47])[C@:21]([O:22][H:48])([H:49])[C@@:23]([O:24][H:50])([H:51])[C@:25]2([O:26][H:52])[H:53])[H:54])[H:55]):[C:27]([H:56]):[C:28]([O:29][C:30]([H:57])([H:58])[H:59]):[C:31]:1[O:32][H:60])([H:61])([H:62])[H:63]>>[C:1]([N:2]([C:3]([C:4]([O:5][C:13]([C:12](=[C:11]([C:10]1:[C:9]([H:42]):[C:8]([O:7][C:6]([H:61])([H:62])[H:63]):[C:31]([O:32][H:60]):[C:28]([O:29][C:30]([H:57])([H:58])[H:59]):[C:27]:1[H:56])[H:55])[H:54])=[O:14])([H:34])[H:35])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41].[H][O:15][C@:16]1([H:43])[O:17][C@@:18]([C:19]([O:20][H:44])([H:45])[H:46])([H:47])[C@:21]([O:22][H:48])([H:49])[C@@:23]([O:24][H:50])([H:51])[C@:25]1([O:26][H:52])[H:53]