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EVODEX.1-P151

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1[C:3]([H:29])=[C:4]([H:30])[C:5](=[N:6][C:7]2:[C:8]([H:31]):[C:9]([Cl:10]):[C:11]([O:12][H:32]):[C:13]([Cl:14]):[C:15]:2[H:33])[C:16]([H:34])=[C:17]1[H:35].[H][C@@:22]1([O:23][H])[O:21][C@@:20]([C:19]([O:18][H:47])([H:45])[H:46])([H:36])[C@:27]([O:28][H:43])([H:44])[C@@:25]([O:26][H:41])([H:42])[C:24]1([H:39])[H:40]>>[O:18]([C:19]([C@@:20]1([H:36])[O:21][C:22](=[O:23])[C:24]([H:39])([H:40])[C@:25]([O:26][H:41])([H:42])[C@@:27]1([O:28][H:43])[H:44])([H:45])[H:46])[H:47].[H][O:1][C:2]1:[C:3]([H:29]):[C:4]([H:30]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:31]):[C:9]([Cl:10]):[C:11]([O:12][H:32]):[C:13]([Cl:14]):[C:15]:2[H:33]):[C:16]([H:34]):[C:17]:1[H:35]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E327 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:3]-[#6:4](-[#8:5]-[H])(-[H])-[#6@@:6].[#8:12]=[#6:13]1-[#6:14]=[#6:15]-[#6:16](=[#7:17]-[#6:18])-[#6:27]=[#6:28]-1>>[#8:3]-[#6:4](=[#8:5])-[#6@@:6].[#8:12](-[#6:13]1:[#6:14]:[#6:15]:[#6:16](-[#7:17](-[#6:18])-[H]):[#6:27]:[#6:28]:1)-[H]

EVODEX.1-C1188 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#7:6]).([H]-[#6@@:22]-[#8:23]-[H].[#6@:27]-[#6@@:25])>>([#6:22]=[#8:23].[#6@:25]-[#6@@:27]).([H]-[#8:1].[#7:6]-[H])

EVODEX.1-N1472 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7]).[H]-[#6@@:22]1(-[#8:23]-[H])-[#8:21]-[#6@@:20]-[#6@:27](-[#8:28])(-[H:44])-[#6@@:25](-[#8:26])(-[H:42])-[#6:24]-1>>[#8:21]1-[#6@@:20]-[#6@:27](-[#6@@:25](-[#6:24]-[#6:22]-1=[#8:23])(-[#8:26])-[H:42])(-[#8:28])-[H:44].([H]-[#8:1]-[#6:2].[#6:5]-[#7:6](-[H])-[#6:7])

EVODEX.1-Em191 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#7:6]-[#6:7])-[#6:16]=[#6:17]-1.[H]-[#6:50](-[#8:51]-[H])(-[#6:48])-[#8:52]>>[#6:48]-[#6:50](=[#8:51])-[#8:52].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#7:6](-[H])-[#6:7]):[#6:16]:[#6:17]: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-Nm194 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7]).[H]-[#6:50](-[#8:51]-[H])(-[#6:48])-[#8:52]>>[#6:48]-[#6:50](=[#8:51])-[#8:52].([H]-[#8:1]-[#6:2].[#6:5]-[#7:6](-[H])-[#6:7])

Source Full Reactions

EVODEX.1-R196

Full Reaction Rendering

[O:1]=[C:2]1[C:3]([H:29])=[C:4]([H:30])[C:5](=[N:6][C:7]2:[C:8]([H:31]):[C:9]([Cl:10]):[C:11]([O:12][H:32]):[C:13]([Cl:14]):[C:15]:2[H:33])[C:16]([H:34])=[C:17]1[H:35].[H][C@@:22]1([O:23][H])[O:21][C@@:20]([C:19]([O:18][H:47])([H:45])[H:46])([H:36])[C@:27]([O:28][H:43])([H:44])[C@@:25]([O:26][H:41])([H:42])[C:24]1([H:39])[H:40]>>[O:18]([C:19]([C@@:20]1([H:36])[O:21][C:22](=[O:23])[C:24]([H:39])([H:40])[C@:25]([O:26][H:41])([H:42])[C@@:27]1([O:28][H:43])[H:44])([H:45])[H:46])[H:47].[H][O:1][C:2]1:[C:3]([H:29]):[C:4]([H:30]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:31]):[C:9]([Cl:10]):[C:11]([O:12][H:32]):[C:13]([Cl:14]):[C:15]:2[H:33]):[C:16]([H:34]):[C:17]:1[H:35]