EVODEX.1-P315

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R346

Full Reaction Rendering

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