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EVODEX.1-P169

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1[C:3]([H:30])=[C:4]([H:31])[C:5](=[N:6][C:7]2:[C:8]([H:32]):[C:9]([Cl:10]):[C:11]([O:12][H:33]):[C:13]([Cl:14]):[C:15]:2[H:34])[C:16]([H:35])=[C:17]1[H:36].[H][C@@:26]1([O:27][H])[C@:24]([O:25][H:40])([H:41])[C:22]([O:23][H:38])([H:39])[O:21][C@@:20]([C:19]([O:18][H:48])([H:46])[H:47])([H:37])[C@:28]1([O:29][H:44])[H:45]>>[O:18]([C:19]([C@@:20]1([H:37])[O:21][C:22]([O:23][H:38])([H:39])[C@@:24]([O:25][H:40])([H:41])[C:26](=[O:27])[C@@:28]1([O:29][H:44])[H:45])([H:46])[H:47])[H:48].[H][O:1][C:2]1:[C:3]([H:30]):[C:4]([H:31]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:32]):[C:9]([Cl:10]):[C:11]([O:12][H:33]):[C:13]([Cl:14]):[C:15]:2[H:34]):[C:16]([H:35]):[C:17]:1[H:36]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E324 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:26](-[#6@:25](-[#6@:23])(-[H])-[#6@@:27])-[H].[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#7:6]-[#6:7])-[#6:16]=[#6:17]-1>>[#6:25](-[#6@:23])(=[#8:26])-[#6@@:27].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#7:6](-[#6:7])-[H]):[#6:16]:[#6:17]:1)-[H]

EVODEX.1-C1190 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#7:6]).[H]-[#6@@:26](-[#8:27]-[H])(-[#6@:24])-[#6@:28]>>[#6:26](-[#6@@:24])(=[#8:27])-[#6@@:28].([H]-[#8:1].[#7:6]-[H])

EVODEX.1-N1475 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7]).[H]-[#6@@:26](-[#8:27]-[H])(-[#6@:24](-[#8:25])(-[H:41])-[#6:22])-[#6@@:28](-[#6@@:20])(-[#8:29])-[H:45]>>[#6:22]-[#6@@:24](-[#8:25])(-[H:41])-[#6:26](=[#8:27])-[#6@@:28](-[#6@@:20])(-[#8:29])-[H:45].([H]-[#8:1]-[#6:2].[#6:5]-[#7:6](-[H])-[#6:7])

EVODEX.1-Em182 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:37](-[#8:38]-[H])(-[#6:28])-[#6:35].[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#7:6]-[#6:7])-[#6:16]=[#6:17]-1>>[#6:28]-[#6:37](-[#6:35])=[#8:38].[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-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-R215

Full Reaction Rendering

[O:1]=[C:2]1[C:3]([H:30])=[C:4]([H:31])[C:5](=[N:6][C:7]2:[C:8]([H:32]):[C:9]([Cl:10]):[C:11]([O:12][H:33]):[C:13]([Cl:14]):[C:15]:2[H:34])[C:16]([H:35])=[C:17]1[H:36].[H][C@@:26]1([O:27][H])[C@:24]([O:25][H:40])([H:41])[C:22]([O:23][H:38])([H:39])[O:21][C@@:20]([C:19]([O:18][H:48])([H:46])[H:47])([H:37])[C@:28]1([O:29][H:44])[H:45]>>[O:18]([C:19]([C@@:20]1([H:37])[O:21][C:22]([O:23][H:38])([H:39])[C@@:24]([O:25][H:40])([H:41])[C:26](=[O:27])[C@@:28]1([O:29][H:44])[H:45])([H:46])[H:47])[H:48].[H][O:1][C:2]1:[C:3]([H:30]):[C:4]([H:31]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:32]):[C:9]([Cl:10]):[C:11]([O:12][H:33]):[C:13]([Cl:14]):[C:15]:2[H:34]):[C:16]([H:35]):[C:17]:1[H:36]