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EVODEX.1-P3448

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:10][C:9]([C@@:8]1([H:47])[O:7][C@:6]([N:5]2:[C:4]([H:42]):[C:3]([H:41]):[C:2]([N:1]([H:52])[H:53]):[N:17]:[C:15]:2=[O:16])([H:43])[C@@:13]([O:14][H:50])([H:51])[C@@:11]1([O:12][H:48])[H:49])([H:45])[H:46].[O:18]=[C:19]1:[N:20]([H:54]):[C:21]([H:55]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:56]):[N:27]:2[C@:28]1([H:57])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:58])[O:36][H:59])([H:60])[H:61])([H:62])[C@:37]([O:38][H:63])([H:64])[C@:39]1([O:40][H:65])[H:66]>>[N:1]([C:2]1:[C:3]([H:41]):[C:4]([H:42]):[N:5]([C@:6]2([H:43])[O:7][C@@:8]([C:9]([O:10][P:33](=[O:34])([O:35][H:58])[O:36][H:59])([H:45])[H:46])([H:47])[C@:11]([O:12][H:48])([H:49])[C@:13]2([O:14][H:50])[H:51]):[C:15](=[O:16]):[N:17]:1)([H:52])[H:53].[H][O:32][C:31]([C@@:30]1([H:62])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:55]):[N:20]([H:54]):[C:19](=[O:18]):[C:24]:3:[N:25]:[C:26]:2[H:56])([H:57])[C@@:39]([O:40][H:65])([H:66])[C@@:37]1([O:38][H:63])[H:64])([H:60])[H:61]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E244 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:18](-[#6@:17])-[H].[#8:21]=[#15:22](-[#8:23])(-[#8:24])-[#8:25]-[#6@@:26]>>[#8:18](-[#6@:17])-[#15:22](=[#8:21])(-[#8:23])-[#8:24].[#8:25](-[#6@@:26])-[H]

EVODEX.1-C883 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:17].[#6@@:21]-[#6@@:19]).([#8:43]-[#15:44].[#6@:48]-[#6@:50])>>([#8:17]-[#15:44].[#6@:19]-[#6@:21]).([H]-[#8:43].[#6@@:50]-[#6@@:48])

EVODEX.1-N1658 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:10]-[#6:9]-[#6@@:8]-[#6@:11](-[#6@:13](-[#6@:6])(-[#8:14])-[H:51])(-[#8:12])-[H:49].[#6:31](-[#6@@:30]-[#6@:37](-[#8:38])(-[H:64])-[#6@:39](-[#6@:28])(-[#8:40])-[H:66])-[#8:32]-[#15:33](=[#8:34])(-[#8:35])-[#8:36]>>[#6:9](-[#6@@:8]-[#6@:11](-[#8:12])(-[H:49])-[#6@:13](-[#6@:6])(-[#8:14])-[H:51])-[#8:10]-[#15:33](=[#8:34])(-[#8:35])-[#8:36].[H]-[#8:32]-[#6:31]-[#6@@:30]-[#6@:37](-[#6@:39](-[#6@:28])(-[#8:40])-[H:66])(-[#8:38])-[H:64]

EVODEX.1-Em66 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm79 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

Source Full Reactions

EVODEX.1-R4133

Full Reaction Rendering

[H][O:10][C:9]([C@@:8]1([H:47])[O:7][C@:6]([N:5]2:[C:4]([H:42]):[C:3]([H:41]):[C:2]([N:1]([H:52])[H:53]):[N:17]:[C:15]:2=[O:16])([H:43])[C@@:13]([O:14][H:50])([H:51])[C@@:11]1([O:12][H:48])[H:49])([H:45])[H:46].[O:18]=[C:19]1:[N:20]([H:54]):[C:21]([H:55]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:56]):[N:27]:2[C@:28]1([H:57])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:58])[O:36][H:59])([H:60])[H:61])([H:62])[C@:37]([O:38][H:63])([H:64])[C@:39]1([O:40][H:65])[H:66]>>[N:1]([C:2]1:[C:3]([H:41]):[C:4]([H:42]):[N:5]([C@:6]2([H:43])[O:7][C@@:8]([C:9]([O:10][P:33](=[O:34])([O:35][H:58])[O:36][H:59])([H:45])[H:46])([H:47])[C@:11]([O:12][H:48])([H:49])[C@:13]2([O:14][H:50])[H:51]):[C:15](=[O:16]):[N:17]:1)([H:52])[H:53].[H][O:32][C:31]([C@@:30]1([H:62])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:55]):[N:20]([H:54]):[C:19](=[O:18]):[C:24]:3:[N:25]:[C:26]:2[H:56])([H:57])[C@@:39]([O:40][H:65])([H:66])[C@@:37]1([O:38][H:63])[H:64])([H:60])[H:61]