EVODEX.1-P111

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][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])([O:8][H])[C:9](=[O:10])[O:11][H:30].[O:12]=[C:13]1[C:14]([H:45])=[C:15]([H:46])[C:16](=[N:17][C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49])[C:27]([H:50])=[C:28]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:30])([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:12][C:13]1:[C:14]([H:45]):[C:15]([H:46]):[C:16]([N:17]([H])[C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49]):[C:27]([H:50]):[C:28]:1[H:51]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-N97 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20]).[H]-[#6@@:4](-[#6:2])(-[#8:5]-[H])-[#6@@:6]>>[#6:2]-[#6:4](=[#8:5])-[#6@@:6].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

EVODEX.1-Em181 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1.[H]-[#6:4](-[#6:2]=[#8:1])(-[#8:5]-[H])-[#6:6]>>[#8:1]=[#6:2]-[#6:4](=[#8:5])-[#6:6].[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-Nm95 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20]).[H]-[#6:4](-[#6:2])(-[#8:5]-[H])-[#6:6]>>[#6:2]-[#6:4](=[#8:5])-[#6:6].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

Source Full Reactions

EVODEX.1-R147

Full Reaction Rendering

[H][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])([O:8][H])[C:9](=[O:10])[O:11][H:30].[O:12]=[C:13]1[C:14]([H:45])=[C:15]([H:46])[C:16](=[N:17][C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49])[C:27]([H:50])=[C:28]1[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:30])([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:12][C:13]1:[C:14]([H:45]):[C:15]([H:46]):[C:16]([N:17]([H])[C:18]2:[C:19]([H:47]):[C:20]([Cl:21]):[C:22]([O:23][H:48]):[C:24]([Cl:25]):[C:26]:2[H:49]):[C:27]([H:50]):[C:28]:1[H:51]