EVODEX.1-P317

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H][O:34][C:32]([C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:61])([H:65])[H:66])([H:63])[H:64])=[O:31])=[O:33].[O:35]=[O:36]>>[C:32](=[O:33])=[O:34].[H][O:35][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H][O:36][C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:61])([H:65])[H:66])([H:63])[H:64])=[O:31]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E298 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6:9](=[#8:10])-[#8:11]-[H].[#8:32]=[#8:33]>>[#6:9](=[#8:10])=[#8:11].[#6:13]-[#6@:14](-[#8:33]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8:32]-[H]

EVODEX.1-C52 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-N151 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:73](-[#6@:72])(-[#6:74])-[H:228].[H]-[#8:160]-[#6:158](-[#6:156](-[#6:155])=[#8:157])=[#8:159].[#8:161]=[#8:162]>>[#6:158](=[#8:159])=[#8:160].[H]-[#8:161]-[#6@@:73](-[#6@:72])(-[#6:74])-[H:228].[H]-[#8:162]-[#6:156](-[#6:155])=[#8:157]

EVODEX.1-Em233 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:160]-[#6:158](-[#6:156](-[#6:155])=[#8:157])=[#8:159].[#8:161]=[#8:162]>>[#6:158](=[#8:159])=[#8:160].[H]-[#8:161]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:162]-[#6:156](-[#6:155])=[#8:157]

EVODEX.1-Cm54 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-Nm231 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:160]-[#6:158](-[#6:156](-[#6:155])=[#8:157])=[#8:159].[#8:161]=[#8:162]>>[#6:158](=[#8:159])=[#8:160].[H]-[#8:161]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:162]-[#6:156](-[#6:155])=[#8:157]

Source Full Reactions

EVODEX.1-R348

Full Reaction Rendering

[H][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H][O:34][C:32]([C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:61])([H:65])[H:66])([H:63])[H:64])=[O:31])=[O:33].[O:35]=[O:36]>>[C:32](=[O:33])=[O:34].[H][O:35][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H][O:36][C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:61])([H:65])[H:66])([H:63])[H:64])=[O:31]