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EVODEX.1-P172

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1[C:3]([H:37])=[C:4]([H:38])[C:5](=[N:6][C:7]2:[C:8]([H:39]):[C:9]([Cl:10]):[C:11]([O:12][H:40]):[C:13]([Cl:14]):[C:15]:2[H:41])[C:16]([H:42])=[C:17]1[H:43].[H][C@@:27]1([O:28][H])[O:26][C:25]([H:48])([H:49])[C@:24]([O:23][C@@:22]2([H:56])[C@@:20]([O:21][H:45])([H:46])[C@:19]([O:18][H:61])([H:44])[C@@:35]([O:36][H:59])([H:60])[C:34]([H:57])([H:58])[O:33]2)([H:47])[C@@:31]([O:32][H:54])([H:55])[C@:29]1([O:30][H:52])[H:53]>>[O:18]([C@:19]1([H:44])[C@:20]([O:21][H:45])([H:46])[C@@:22]([O:23][C@:24]2([H:47])[C:25]([H:48])([H:49])[O:26][C:27](=[O:28])[C@@:29]([O:30][H:52])([H:53])[C@:31]2([O:32][H:54])[H:55])([H:56])[O:33][C:34]([H:57])([H:58])[C@:35]1([O:36][H:59])[H:60])[H:61].[H][O:1][C:2]1:[C:3]([H:37]):[C:4]([H:38]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:39]):[C:9]([Cl:10]):[C:11]([O:12][H:40]):[C:13]([Cl:14]):[C:15]:2[H:41]):[C:16]([H:42]):[C:17]:1[H:43]

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-C1191 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#7:6]).([H]-[#6@@:27](-[#8:28]-[H])-[#6@:29]-[#6@@:31].[#6@@:20].[#6@@:35])>>([#6:27](=[#8:28])-[#6@@:29]-[#6@:31].[#6@:20].[#6@:35]).([H]-[#8:1].[#7:6]-[H])

EVODEX.1-N1476 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7]).([H]-[#6@@:27](-[#8:28]-[H])(-[#8:26])-[#6@@:29](-[#6@:31](-[#6@:24])(-[#8:32])-[H:55])(-[#8:30])-[H:53].[#8:21]-[#6@:20](-[#6@@:22])(-[H:46])-[#6@:19]-[#6@@:35](-[#8:36])(-[H:60])-[#6:34])>>([#8:21]-[#6@@:20](-[#6@:19]-[#6@@:35](-[#6:34])(-[#8:36])-[H:60])(-[H:46])-[#6@@:22].[#8:26]-[#6:27](=[#8:28])-[#6@@:29](-[#8:30])(-[H:53])-[#6@:31](-[#6@:24])(-[#8:32])-[H:55]).([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-R218

Full Reaction Rendering

[O:1]=[C:2]1[C:3]([H:37])=[C:4]([H:38])[C:5](=[N:6][C:7]2:[C:8]([H:39]):[C:9]([Cl:10]):[C:11]([O:12][H:40]):[C:13]([Cl:14]):[C:15]:2[H:41])[C:16]([H:42])=[C:17]1[H:43].[H][C@@:27]1([O:28][H])[O:26][C:25]([H:48])([H:49])[C@:24]([O:23][C@@:22]2([H:56])[C@@:20]([O:21][H:45])([H:46])[C@:19]([O:18][H:61])([H:44])[C@@:35]([O:36][H:59])([H:60])[C:34]([H:57])([H:58])[O:33]2)([H:47])[C@@:31]([O:32][H:54])([H:55])[C@:29]1([O:30][H:52])[H:53]>>[O:18]([C@:19]1([H:44])[C@:20]([O:21][H:45])([H:46])[C@@:22]([O:23][C@:24]2([H:47])[C:25]([H:48])([H:49])[O:26][C:27](=[O:28])[C@@:29]([O:30][H:52])([H:53])[C@:31]2([O:32][H:54])[H:55])([H:56])[O:33][C:34]([H:57])([H:58])[C@:35]1([O:36][H:59])[H:60])[H:61].[H][O:1][C:2]1:[C:3]([H:37]):[C:4]([H:38]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:39]):[C:9]([Cl:10]):[C:11]([O:12][H:40]):[C:13]([Cl:14]):[C:15]:2[H:41]):[C:16]([H:42]):[C:17]:1[H:43]