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EVODEX.1-P182

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:37]1([O:38][H])[C@@:28]([O:27][C@@:26]2([H:58])[C@@:23]([C:24]([O:25][H:43])([H:44])[H:45])([H:46])[O:22][C@:20]([O:21][H:41])([H:42])[C:19](=[O:18])[C@@:39]2([O:40][H:59])[H:60])([H:47])[O:29][C@@:30]([C:31]([O:32][H:48])([H:49])[H:50])([H:51])[C@:33]([O:34][H:52])([H:53])[C@@:35]1([O:36][H:54])[H:55].[O:1]=[C:2]1[C:3]([H:61])=[C:4]([H:62])[C:5](=[N:6][C:7]2:[C:8]([H:63]):[C:9]([Cl:10]):[C:11]([O:12][H:64]):[C:13]([Cl:14]):[C:15]:2[H:65])[C:16]([H:66])=[C:17]1[H:67]>>[O:18]=[C:19]1[C@@:20]([O:21][H:41])([H:42])[O:22][C@:23]([C:24]([O:25][H:43])([H:44])[H:45])([H:46])[C@@:26]([O:27][C@:28]2([H:47])[O:29][C@@:30]([C:31]([O:32][H:48])([H:49])[H:50])([H:51])[C@:33]([O:34][H:52])([H:53])[C@@:35]([O:36][H:54])([H:55])[C:37]2=[O:38])([H:58])[C@:39]1([O:40][H:59])[H:60].[H][O:1][C:2]1:[C:3]([H:61]):[C:4]([H:62]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:63]):[C:9]([Cl:10]):[C:11]([O:12][H:64]):[C:13]([Cl:14]):[C:15]:2[H:65]):[C:16]([H:66]):[C:17]:1[H:67]

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-C1195 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6@:37](-[#8:38]-[H])-[#6@@:28].[#6@@:23].[#6@:20].[#6@@:39]).([#8:1].[#7:6])>>([#6:37](-[#6@:28])=[#8:38].[#6@@:20].[#6@:23].[#6@:39]).([H]-[#8:1].[#7:6]-[H])

EVODEX.1-N1482 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:37](-[#8:38]-[H])(-[#6@@:28](-[#8:27]-[#6@:26]1-[#6@@:23](-[#6:24])(-[H:46])-[#8:22]-[#6@:20](-[#8:21])(-[H:42])-[#6:19]-[#6@@:39]-1(-[#8:40])-[H:60])(-[H:47])-[#8:29])-[#6@@:35].([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7])>>[#6:19]1-[#6@@:20](-[#8:21])(-[H:42])-[#8:22]-[#6@:23](-[#6:24])(-[H:46])-[#6@@:26](-[#8:27]-[#6@:28](-[H:47])(-[#8:29])-[#6:37](-[#6@@:35])=[#8:38])-[#6@:39]-1(-[#8:40])-[H:60].([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-R228

Full Reaction Rendering

[H][C@:37]1([O:38][H])[C@@:28]([O:27][C@@:26]2([H:58])[C@@:23]([C:24]([O:25][H:43])([H:44])[H:45])([H:46])[O:22][C@:20]([O:21][H:41])([H:42])[C:19](=[O:18])[C@@:39]2([O:40][H:59])[H:60])([H:47])[O:29][C@@:30]([C:31]([O:32][H:48])([H:49])[H:50])([H:51])[C@:33]([O:34][H:52])([H:53])[C@@:35]1([O:36][H:54])[H:55].[O:1]=[C:2]1[C:3]([H:61])=[C:4]([H:62])[C:5](=[N:6][C:7]2:[C:8]([H:63]):[C:9]([Cl:10]):[C:11]([O:12][H:64]):[C:13]([Cl:14]):[C:15]:2[H:65])[C:16]([H:66])=[C:17]1[H:67]>>[O:18]=[C:19]1[C@@:20]([O:21][H:41])([H:42])[O:22][C@:23]([C:24]([O:25][H:43])([H:44])[H:45])([H:46])[C@@:26]([O:27][C@:28]2([H:47])[O:29][C@@:30]([C:31]([O:32][H:48])([H:49])[H:50])([H:51])[C@:33]([O:34][H:52])([H:53])[C@@:35]([O:36][H:54])([H:55])[C:37]2=[O:38])([H:58])[C@:39]1([O:40][H:59])[H:60].[H][O:1][C:2]1:[C:3]([H:61]):[C:4]([H:62]):[C:5]([N:6]([H])[C:7]2:[C:8]([H:63]):[C:9]([Cl:10]):[C:11]([O:12][H:64]):[C:13]([Cl:14]):[C:15]:2[H:65]):[C:16]([H:66]):[C:17]:1[H:67]