EVODEX Logo

EVODEX.1-P245

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][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]OO[C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])[H:44])[H:43])([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][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]

Derived Operators

EVODEX.1-F64 - Elemental Balance

O2

EVODEX.1-M19 - Mass Difference

31.9898

EVODEX.1-E603 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]=[#6:7]-[#6:8](-[#6:9]=[#6:10](-[#6:11])-[H:56])(-[H:58])-[H]>>[#6:6]=[#6:7]-[#6:8](=[#6:9]-[#6:10](-[#6:11])(-[#8]-[#8]-[H])-[H:56])-[H:58]

EVODEX.1-C199 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:11].[#6:13])>>([H]-[#8]-[#8]-[#6:13].[#6:11])

EVODEX.1-N131 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:11](-[#6:10])(-[#6:12]=[#6:13](-[#6:14])-[H:38])-[H:40]>>[H]-[#8]-[#8]-[#6:13](-[#6:12]=[#6:11](-[#6:10])-[H:40])(-[#6:14])-[H:38]

EVODEX.1-Em214 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:11](-[#6:10]=[#6:9])-[#6:12]=[#6:13]-[#6:14]>>[#8]-[#8]-[#6:13](-[#6:12]=[#6:11]-[#6:10]=[#6:9])-[#6:14]

EVODEX.1-Cm179 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:11].[#6:13])>>([#8]-[#6:13].[#6:11])

EVODEX.1-Nm213 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:11](-[#6:10])-[#6:12]=[#6:13]-[#6:14]>>[#8]-[#8]-[#6:13](-[#6:12]=[#6:11]-[#6:10])-[#6:14]

Source Full Reactions

EVODEX.1-R285

Full Reaction Rendering

[H][C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][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].[O:23]=[O:24]>>[H][O:24][O:23][C:10]([C:9](=[C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])[H:44])[H:43])([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][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]