EVODEX.1-P6431

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E125 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#6:8](-[#6:9])-[H:35])-[H:36].[#8:19](-[H:50])-[H]>>[#6:6]-[#6:7](-[#6@:8](-[#6:9])(-[#8:19]-[H:50])-[H:35])(-[H:36])-[H]

EVODEX.1-C70 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]=[#6:4].[H]-[#8:26]>>[H]-[#6:4]-[#6:2]-[#8:26]

EVODEX.1-N60 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:11]-[#6:12](=[#6:13](-[#6:14])-[H:100])-[H:101].[H]-[#8:64]-[H:125]>>[H]-[#6:13](-[#6@@:12](-[#6:11])(-[#8:64]-[H:125])-[H:101])(-[#6:14])-[H:100]

EVODEX.1-Em765 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9]=[#6:10]-[#6:11].[H]-[#8:21]>>[H]-[#6:10](-[#6:9](-[#6:8])-[#8:21])-[#6:11]

EVODEX.1-Cm110 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]=[#6:4].[H]-[#8:26]>>[H]-[#6:4]-[#6:2]-[#8:26]

EVODEX.1-Nm167 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:11]-[#6:12]=[#6:13]-[#6:14].[H]-[#8:64]>>[H]-[#6:13](-[#6:12](-[#6:11])-[#8:64])-[#6:14]

Source Full Reactions

EVODEX.1-R7018

Full Reaction Rendering

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