EVODEX.1-P6591

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E297 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#8:8]-[H].[#8:14]=[#15:15](-[#8:16])(-[#8:17])-[#8:18]-[#6@@:19](-[H:46])(-[#8:20])-[#6@:28]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17].[#8:18](-[#6:19](-[H:46])(-[#8:20])-[#6@:28])-[H]

EVODEX.1-C882 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17]-[#6@@:18].[H]-[#8:12]>>[#8:12]-[#15:14].[H]-[#8:17]-[#6:18]

EVODEX.1-N1105 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6@@:18](-[H:31])(-[#8:19])-[#6@:27].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18](-[H:31])(-[#8:19])-[#6@:27]

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-R7172

Full Reaction Rendering

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