EVODEX.1-P4088

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: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:54])[H:55])([H:56])([H:57])[H:58].[H][O:21][C:22]([C:23]([Cl:24])([H:59])[H:60])([H:61])[H:62]>>[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:21][C:22]([C:23]([Cl:24])([H:59])[H:60])([H:61])[H:62])([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:54])[H:55])([H:56])([H:57])[H:58].[H][O:20][H:25]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E157 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:15].[#6:13]-[#8:14]-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:14]-[#6:13].[#8:4](-[H:15])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N601 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:25].[H]-[#8:21]-[#6:22]>>[#6:17]-[#6:18](=[#8:19])-[#8:21]-[#6:22].[H]-[#8:20]-[H:25]

EVODEX.1-Em582 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20].[H]-[#8:21]-[#6:22]>>[#6:17]-[#6:18](=[#8:19])-[#8:21]-[#6:22].[H]-[#8:20]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm522 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20].[H]-[#8:21]-[#6:22]>>[#6:17]-[#6:18](=[#8:19])-[#8:21]-[#6:22].[H]-[#8:20]

Source Full Reactions

EVODEX.1-R4931

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: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:54])[H:55])([H:56])([H:57])[H:58].[H][O:21][C:22]([C:23]([Cl:24])([H:59])[H:60])([H:61])[H:62]>>[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:21][C:22]([C:23]([Cl:24])([H:59])[H:60])([H:61])[H:62])([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:54])[H:55])([H:56])([H:57])[H:58].[H][O:20][H:25]