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EVODEX.1-P4270

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OS(=O)(=O)O[C:19]([C@@:18]1([H:44])[O:17][C@@:3]([O:4][C@@:5]2([H:31])[C@@:6]([O:7][H:32])([H:33])[C@@:8]([C:9](=[O:10])[O:11][H:34])([H:35])[O:12][C:13]([O:14][H:36])([H:37])[C@@:15]2([O:16][H:38])[H:39])([H:40])[C@@:2]([N:1]([H:49])[H:50])([H:30])[C@:27]([O:28][H:47])([H:48])[C@@:25]1([O:26][H:45])[H:46])([H:42])[H:43].[H][O:29][H:51]>>[N:1]([C@@:2]1([H:30])[C@:3]([O:4][C@@:5]2([H:31])[C@@:6]([O:7][H:32])([H:33])[C@@:8]([C:9](=[O:10])[O:11][H:34])([H:35])[O:12][C:13]([O:14][H:36])([H:37])[C@@:15]2([O:16][H:38])[H:39])([H:40])[O:17][C@@:18]([C:19]([O:29][H:51])([H:42])[H:43])([H:44])[C@:25]([O:26][H:45])([H:46])[C@@:27]1([O:28][H:47])[H:48])([H:49])[H:50]

Derived Operators

EVODEX.1-F141 - Elemental Balance

O-4
S-1
H-2

EVODEX.1-M113 - Mass Difference

-97.96736

EVODEX.1-E796 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:25](-[#6@@:24])(-[#8]-[#16](=[#8])(=[#8])-[#8]-[H])(-[H:43])-[H:44].[#8:37](-[H:85])-[H]>>[#6:25](-[#6@@:24])(-[#8:37]-[H:85])(-[H:43])-[H:44]

EVODEX.1-C1379 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:19].[#6@@:3].[#6@:27]-[#6@@:25]).[H]-[#8:29]>>([#6:19]-[#8:29].[#6@:3].[#6@:25]-[#6@@:27])

EVODEX.1-N1753 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:19](-[#6@:18]1-[#8:17]-[#6@@:3](-[#8:4])(-[H:40])-[#6@@:2]-[#6@:27](-[#8:28])(-[H:48])-[#6@@:25]-1(-[#8:26])-[H:46])(-[H:42])-[H:43].[H]-[#8:29]-[H:51]>>[#8:4]-[#6@@:3]1(-[#6@@:2]-[#6@:27](-[#6@@:25](-[#6@@:18](-[#8:17]-1)-[#6:19](-[#8:29]-[H:51])(-[H:42])-[H:43])(-[#8:26])-[H:46])(-[#8:28])-[H:48])-[H:40]

EVODEX.1-Em630 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#16]-[#8]-[#6:7]-[#6:6].[H]-[#8:17]>>[#6:6]-[#6:7]-[#8:17]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm565 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#16]-[#8]-[#6:7]-[#6:6].[H]-[#8:17]>>[#6:6]-[#6:7]-[#8:17]

Source Full Reactions

EVODEX.1-R5117

Full Reaction Rendering

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