EVODEX.1-P98

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:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([O:9][H])[H:28].[O:10]=[C:11]1[C:12]([H:45])=[C:13]([H:46])[C:14](=[N:15][C:16]2:[C:17]([H:47]):[C:18]([Cl:19]):[C:20]([O:21][H:48]):[C:22]([Cl:23]):[C:24]:2[H:49])[C:25]([H:50])=[C:26]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[H:28])([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][O:10][C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([N:15]([H])[C:16]2:[C:17]([H:47]):[C:18]([Cl:19]):[C:20]([O:21][H:48]):[C:22]([Cl:23]):[C:24]:2[H:49]):[C:25]([H:50]):[C:26]:1[H:51]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E321 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7]-[H])(-[H:33])-[H].[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1>>[#6:5]-[#6:6](=[#8:7])-[H:33].[#8:14](-[#6:15]1:[#6:16]:[#6:17]:[#6:18](-[#7:19](-[#6:20])-[H]):[#6:29]:[#6:30]:1)-[H]

EVODEX.1-C82 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-N113 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7]-[H])-[H:33].([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20])>>[#6:5]-[#6:6](=[#8:7])-[H:33].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

EVODEX.1-Em176 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])-[#8:7]-[H].[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1>>[#6:5]-[#6:6]=[#8:7].[H]-[#8:14]-[#6:15]1:[#6:16]:[#6:17]:[#6:18](-[#7:19](-[H])-[#6:20]):[#6:29]:[#6:30]:1

EVODEX.1-Cm75 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-Nm189 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])-[#8:7]-[H].([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20])>>[#6:5]-[#6:6]=[#8:7].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

Source Full Reactions

EVODEX.1-R131

Full Reaction Rendering

[H][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([O:9][H])[H:28].[O:10]=[C:11]1[C:12]([H:45])=[C:13]([H:46])[C:14](=[N:15][C:16]2:[C:17]([H:47]):[C:18]([Cl:19]):[C:20]([O:21][H:48]):[C:22]([Cl:23]):[C:24]:2[H:49])[C:25]([H:50])=[C:26]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[H:28])([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][O:10][C:11]1:[C:12]([H:45]):[C:13]([H:46]):[C:14]([N:15]([H])[C:16]2:[C:17]([H:47]):[C:18]([Cl:19]):[C:20]([O:21][H:48]):[C:22]([Cl:23]):[C:24]:2[H:49]):[C:25]([H:50]):[C:26]:1[H:51]