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EVODEX.1-P175

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1[C:3]([H:28])=[C:4]([H:29])[C:5](=[O:6])[C:7]([H:30])=[C:8]1[H:31].[H][C@@:18]1([O:19][H])[O:17][C:16]([H:36])([H:37])[C@:15]([O:14][C@@:13]2([H:44])[C@@:11]([O:12][H:33])([H:34])[C@:10]([O:9][H:49])([H:32])[C@@:26]([O:27][H:47])([H:48])[C:25]([H:45])([H:46])[O:24]2)([H:35])[C@@:22]([O:23][H:42])([H:43])[C@:20]1([O:21][H:40])[H:41]>>[H][O:1][C:2]1:[C:3]([H:28]):[C:4]([H:29]):[C:5]([O:6][H]):[C:7]([H:30]):[C:8]:1[H:31].[O:9]([C@:10]1([H:32])[C@:11]([O:12][H:33])([H:34])[C@@:13]([O:14][C@:15]2([H:35])[C:16]([H:36])([H:37])[O:17][C:18](=[O:19])[C@@:20]([O:21][H:40])([H:41])[C@:22]2([O:23][H:42])[H:43])([H:44])[O:24][C:25]([H:45])([H:46])[C@:26]1([O:27][H:47])[H:48])[H:49]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E317 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:17]-[#6@:18](-[#8:19]-[H])(-[H])-[#6@@:20]>>[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H].[#8:17]-[#6:18](=[#8:19])-[#6@@:20]

EVODEX.1-C1194 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).([H]-[#6@@:18](-[#8:19]-[H])-[#6@:20]-[#6@@:22].[#6@@:11].[#6@@:26])>>([H]-[#8:1].[#8:6]-[H]).([#6:18](=[#8:19])-[#6@@:20]-[#6@:22].[#6@:11].[#6@:26])

EVODEX.1-N1479 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).([H]-[#6@@:18](-[#8:19]-[H])(-[#8:17])-[#6@@:20](-[#6@:22](-[#6@:15])(-[#8:23])-[H:43])(-[#8:21])-[H:41].[#8:12]-[#6@:11](-[#6@@:13])(-[H:34])-[#6@:10]-[#6@@:26](-[#8:27])(-[H:48])-[#6:25])>>([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H]).([#8:12]-[#6@@:11](-[#6@:10]-[#6@@:26](-[#6:25])(-[#8:27])-[H:48])(-[H:34])-[#6@@:13].[#8:17]-[#6:18](=[#8:19])-[#6@@:20](-[#8:21])(-[H:41])-[#6@:22](-[#6@:15])(-[#8:23])-[H:43])

EVODEX.1-Em186 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:18](-[#8:19]-[H])(-[#8:17])-[#6:20]>>[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1.[#8:17]-[#6:18](=[#8:19])-[#6:20]

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm192 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:18](-[#8:19]-[H])(-[#8:17])-[#6:20]>>([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H]).[#8:17]-[#6:18](=[#8:19])-[#6:20]

Source Full Reactions

EVODEX.1-R220

Full Reaction Rendering

[O:1]=[C:2]1[C:3]([H:28])=[C:4]([H:29])[C:5](=[O:6])[C:7]([H:30])=[C:8]1[H:31].[H][C@@:18]1([O:19][H])[O:17][C:16]([H:36])([H:37])[C@:15]([O:14][C@@:13]2([H:44])[C@@:11]([O:12][H:33])([H:34])[C@:10]([O:9][H:49])([H:32])[C@@:26]([O:27][H:47])([H:48])[C:25]([H:45])([H:46])[O:24]2)([H:35])[C@@:22]([O:23][H:42])([H:43])[C@:20]1([O:21][H:40])[H:41]>>[H][O:1][C:2]1:[C:3]([H:28]):[C:4]([H:29]):[C:5]([O:6][H]):[C:7]([H:30]):[C:8]:1[H:31].[O:9]([C@:10]1([H:32])[C@:11]([O:12][H:33])([H:34])[C@@:13]([O:14][C@:15]2([H:35])[C:16]([H:36])([H:37])[O:17][C:18](=[O:19])[C@@:20]([O:21][H:40])([H:41])[C@:22]2([O:23][H:42])[H:43])([H:44])[O:24][C:25]([H:45])([H:46])[C@:26]1([O:27][H:47])[H:48])[H:49]