EVODEX.1-P249

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].[O:23]=[O:24]>>[H][O:24][O:23][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])([C:7](=[C:8]([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:46])[H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E254 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]=[#6:7]-[#6:8](-[#6:9]=[#6:10](-[#6:11])-[H:56])(-[H:58])-[H].[#8:32]=[#8:33]>>[#6:6]=[#6:7]-[#6:8](=[#6:9]-[#6:10](-[#6:11])(-[#8:32]-[#8:33]-[H])-[H:56])-[H:58]

EVODEX.1-C200 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:8].[#6:10]).[#8:32]=[#8:33]>>([H]-[#8:33]-[#8:32]-[#6:10].[#6:8])

EVODEX.1-N132 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:8](-[#6:7])(-[#6:9]=[#6:10](-[#6:11])-[H:56])-[H:58].[#8:32]=[#8:33]>>[H]-[#8:33]-[#8:32]-[#6:10](-[#6:9]=[#6:8](-[#6:7])-[H:58])(-[#6:11])-[H:56]

EVODEX.1-Em215 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#6:7]=[#6:6])-[#6:9]=[#6:10]-[#6:11].[#8:32]=[#8:33]>>[H]-[#8:33]-[#8:32]-[#6:10](-[#6:9]=[#6:8]-[#6:7]=[#6:6])-[#6:11]

EVODEX.1-Cm180 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:8].[#6:10]).[#8:32]=[#8:33]>>([H]-[#8:33]-[#8:32]-[#6:10].[#6:8])

EVODEX.1-Nm214 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#6:7])-[#6:9]=[#6:10]-[#6:11].[#8:32]=[#8:33]>>[H]-[#8:33]-[#8:32]-[#6:10](-[#6:9]=[#6:8]-[#6:7])-[#6:11]

Source Full Reactions

EVODEX.1-R289

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: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])([C:7](=[C:8]([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:46])[H:47]