EVODEX Logo

EVODEX.1-P4284

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OS(=O)(=O)O[C:7]([C@@:8]1([H:30])[O:9][C@:10]([O:11][C@@:12]([C@:13]([O:14][H:31])([C@@:15]([O:16][H:32])([C:17]([O:18][H:33])([H:34])[H:35])[H:36])[H:37])([C@:19]([O:20][H:38])([C:21]([O:22][H:39])([H:40])[H:41])[H:42])[H:43])([H:44])[C@@:23]([O:24][H:45])([H:46])[C@:25]([O:26][H:47])([H:48])[C@:27]1([O:28][H:49])[H:50])([H:51])[H:52].[H][O:1][H:53]>>[O:1]([C:7]([C@@:8]1([H:30])[O:9][C@:10]([O:11][C@@:12]([C@:13]([O:14][H:31])([C@@:15]([O:16][H:32])([C:17]([O:18][H:33])([H:34])[H:35])[H:36])[H:37])([C@:19]([O:20][H:38])([C:21]([O:22][H:39])([H:40])[H:41])[H:42])[H:43])([H:44])[C@@:23]([O:24][H:45])([H:46])[C@:25]([O:26][H:47])([H:48])[C@:27]1([O:28][H:49])[H:50])([H:51])[H:52])[H:53]

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-C523 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4].[H]-[#8:16]>>[#8:16]-[#6@:4]

EVODEX.1-N1247 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:7](-[#6@@:8])(-[H:51])-[H:52].[H]-[#8:1]-[H:53]>>[#8:1](-[#6:7](-[#6@@:8])(-[H:51])-[H:52])-[H:53]

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-R5128

Full Reaction Rendering

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