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EVODEX.1-P2366

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E112 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:2]-[#8:3]-[H].[#6:12]-[#8:13]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23]>>[#15:2]-[#8:3]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23].[#6:12]-[#8:13]-[H]

EVODEX.1-C963 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:11](-[#6@:10]-[#6@:2])-[#6@:12].[H]-[#8:25]>>[#8:25]-[#6@@:12].[H]-[#8:11]-[#6@@:10]-[#6@@:2]

EVODEX.1-N1307 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6@:2](-[H:28])(-[#8:3])-[#6@@:10](-[#6@@:8])(-[#8:11]-[#6@:12](-[H:35])(-[#8:13])-[#6@:21])-[H:46].[H]-[#8:25]-[#15:24]>>[#8:25](-[#6@@:12](-[H:35])(-[#8:13])-[#6@:21])-[#15:24].[H]-[#8:11]-[#6@@:10](-[H:46])(-[#6@@:2](-[#6:1])(-[H:28])-[#8:3])-[#6@@:8]

EVODEX.1-Em60 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#15:2].[#6:14]-[#8:17]-[#6:18](-[#8:19])-[#6:27]>>[#15:2]-[#8:3]-[#6:18](-[#8:19])-[#6:27].[H]-[#8:17]-[#6:14]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm72 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#15:2].[#6:14]-[#8:17]-[#6:18](-[#8:19])-[#6:27]>>[#15:2]-[#8:3]-[#6:18](-[#8:19])-[#6:27].[H]-[#8:17]-[#6:14]

Source Full Reactions

EVODEX.1-R3094

Full Reaction Rendering

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