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EVODEX.1-P2229

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:5][P:2](=[O:1])([O:3][H:40])[O:4][H:41].[O:6]([C:7]([C@:8]1([H:43])[O:9][C@:10]([O:11][H:44])([H:45])[C@@:12]([O:13][H:46])([H:47])[C@:14]([O:15][H:48])([H:49])[C@@:16]1([O:17][C@:18]1([H:50])[O:19][C@:20]([C:21]([O:22][H:51])([H:52])[H:53])([H:54])[C@:23]([O:24][C@:25]2([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]2([O:35][H:64])[H:65])([H:66])[C@@:36]([O:37][H:67])([H:68])[C@:38]1([O:39][H:69])[H:70])[H:71])([H:72])[H:73])[H:74]>>[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:5][C@@:18]1([H:50])[O:19][C@:20]([C:21]([O:22][H:51])([H:52])[H:53])([H:54])[C@:23]([O:24][C@:25]2([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]2([O:35][H:64])[H:65])([H:66])[C@@:36]([O:37][H:67])([H:68])[C@:38]1([O:39][H:69])[H:70].[H][O:17][C@:16]1([H:71])[C@@:8]([C:7]([O:6][H:74])([H:72])[H:73])([H:43])[O:9][C@:10]([O:11][H:44])([H:45])[C@@:12]([O:13][H:46])([H:47])[C@:14]1([O:15][H:48])[H:49]

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-R2961

Full Reaction Rendering

[H][O:5][P:2](=[O:1])([O:3][H:40])[O:4][H:41].[O:6]([C:7]([C@:8]1([H:43])[O:9][C@:10]([O:11][H:44])([H:45])[C@@:12]([O:13][H:46])([H:47])[C@:14]([O:15][H:48])([H:49])[C@@:16]1([O:17][C@:18]1([H:50])[O:19][C@:20]([C:21]([O:22][H:51])([H:52])[H:53])([H:54])[C@:23]([O:24][C@:25]2([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]2([O:35][H:64])[H:65])([H:66])[C@@:36]([O:37][H:67])([H:68])[C@:38]1([O:39][H:69])[H:70])[H:71])([H:72])[H:73])[H:74]>>[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:5][C@@:18]1([H:50])[O:19][C@:20]([C:21]([O:22][H:51])([H:52])[H:53])([H:54])[C@:23]([O:24][C@:25]2([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]2([O:35][H:64])[H:65])([H:66])[C@@:36]([O:37][H:67])([H:68])[C@:38]1([O:39][H:69])[H:70].[H][O:17][C@:16]1([H:71])[C@@:8]([C:7]([O:6][H:74])([H:72])[H:73])([H:43])[O:9][C@:10]([O:11][H:44])([H:45])[C@@:12]([O:13][H:46])([H:47])[C@:14]1([O:15][H:48])[H:49]