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EVODEX.1-P6590

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:7][C:6]([C@@:5]1([H:34])[O:4][C@@:3]([O:2][C:1]([H:41])([H:42])[H:43])([H:30])[C@@:12]([O:13][H:39])([H:40])[C@:10]([O:11][H:37])([H:38])[C@@:8]1([O:9][H:35])[H:36])([H:32])[H:33].[O:14]=[P:15]([O:16][H:44])([O:17][H:45])[O:18][C@@:19]1([H:46])[O:20][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@@:26]([O:27][H:53])([H:54])[C@:28]1([O:29][H:55])[H:56]>>[C:1]([O:2][C@@:3]1([H:30])[O:4][C@@:5]([C:6]([O:7][P:15](=[O:14])([O:16][H:44])[O:17][H:45])([H:32])[H:33])([H:34])[C@:8]([O:9][H:35])([H:36])[C@@:10]([O:11][H:37])([H:38])[C@:12]1([O:13][H:39])[H:40])([H:41])([H:42])[H:43].[H][O:18][C:19]1([H:46])[O:20][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@@:26]([O:27][H:53])([H:54])[C@:28]1([O:29][H:55])[H:56]

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-C1454 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:7].[#6@@:12]-[#6@:10]-[#6@@:8]).[#15:15]-[#8:18]-[#6@@:19]>>([#8:7]-[#15:15].[#6@:8]-[#6@@:10]-[#6@:12]).[H]-[#8:18]-[#6:19]

EVODEX.1-N1863 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:7]-[#6:6]-[#6@@:5]-[#6@:8](-[#6@@:10](-[#6@:12](-[#6@@:3])(-[#8:13])-[H:40])(-[#8:11])-[H:38])(-[#8:9])-[H:36].[#8:14]=[#15:15](-[#8:16])(-[#8:17])-[#8:18]-[#6@@:19](-[H:46])(-[#8:20])-[#6@:28]>>[#6:6](-[#6@@:5]-[#6@:8](-[#8:9])(-[H:36])-[#6@@:10](-[#8:11])(-[H:38])-[#6@:12](-[#6@@:3])(-[#8:13])-[H:40])-[#8:7]-[#15:15](=[#8:14])(-[#8:16])-[#8:17].[H]-[#8:18]-[#6:19](-[H:46])(-[#8:20])-[#6@:28]

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-R7171

Full Reaction Rendering

[H][O:7][C:6]([C@@:5]1([H:34])[O:4][C@@:3]([O:2][C:1]([H:41])([H:42])[H:43])([H:30])[C@@:12]([O:13][H:39])([H:40])[C@:10]([O:11][H:37])([H:38])[C@@:8]1([O:9][H:35])[H:36])([H:32])[H:33].[O:14]=[P:15]([O:16][H:44])([O:17][H:45])[O:18][C@@:19]1([H:46])[O:20][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@@:26]([O:27][H:53])([H:54])[C@:28]1([O:29][H:55])[H:56]>>[C:1]([O:2][C@@:3]1([H:30])[O:4][C@@:5]([C:6]([O:7][P:15](=[O:14])([O:16][H:44])[O:17][H:45])([H:32])[H:33])([H:34])[C@:8]([O:9][H:35])([H:36])[C@@:10]([O:11][H:37])([H:38])[C@:12]1([O:13][H:39])[H:40])([H:41])([H:42])[H:43].[H][O:18][C:19]1([H:46])[O:20][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@@:26]([O:27][H:53])([H:54])[C@:28]1([O:29][H:55])[H:56]