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EVODEX.1-P3747

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][S:7](=[O:8])(=[O:9])[O:10][H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:28][P:26]([O:25][C:24]([C@@:23]1([H:57])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:50]):[N:13]:[C:12]([N:11]([H:63])[H:64]):[C:17]:3:[N:18]:[C:19]:2[H:51])([H:52])[C@@:36]([O:37][H:61])([H:62])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:58])[O:35][H:59])[H:60])([H:55])[H:56])(=[O:27])[O:29][H:54]>>[H][O:6][C:5]([C:4]([C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40].[S:7](=[O:8])(=[O:9])([O:10][H:38])[O:28][P:26]([O:25][C:24]([C@@:23]1([H:57])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:50]):[N:13]:[C:12]([N:11]([H:63])[H:64]):[C:17]:3:[N:18]:[C:19]:2[H:51])([H:52])[C@@:36]([O:37][H:61])([H:62])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:58])[O:35][H:59])[H:60])([H:55])[H:56])(=[O:27])[O:29][H:54]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E151 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:11]-[#8:12]-[#16:13](=[#8:14])(=[#8:15])-[#8:16].([#15:40]-[#8:42]-[H].[#8:45]-[#6@@:44](-[#6@@:37])(-[H:80])-[#6@:50](-[#6@:35])(-[#8:51])-[H:82])>>[#6:11]-[#8:12]-[H].([#16:13](=[#8:14])(=[#8:15])(-[#8:16])-[#8:42]-[#15:40].[#8:51]-[#6@:50](-[#6@:35])(-[H:82])-[#6@@:44](-[#6@@:37])(-[#8:45])-[H:80])

EVODEX.1-C79 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#8:5].[H]-[#8:16]>>[#16:2]-[#8:16].[H]-[#8:5]

EVODEX.1-N1238 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#8:6]-[#16:7](=[#8:8])(=[#8:9])-[#8:10].[H]-[#8:28]-[#15:26]>>[H]-[#8:6]-[#6:5].[#16:7](=[#8:8])(=[#8:9])(-[#8:10])-[#8:28]-[#15:26]

EVODEX.1-Em112 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:18]-[#15:16].[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

EVODEX.1-Cm64 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:11].[#8:40]-[#16:41]>>[#8:11]-[#16:41].[H]-[#8:40]

EVODEX.1-Nm143 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:18]-[#15:16].[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]

Source Full Reactions

EVODEX.1-R4579

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][S:7](=[O:8])(=[O:9])[O:10][H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:28][P:26]([O:25][C:24]([C@@:23]1([H:57])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:50]):[N:13]:[C:12]([N:11]([H:63])[H:64]):[C:17]:3:[N:18]:[C:19]:2[H:51])([H:52])[C@@:36]([O:37][H:61])([H:62])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:58])[O:35][H:59])[H:60])([H:55])[H:56])(=[O:27])[O:29][H:54]>>[H][O:6][C:5]([C:4]([C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40].[S:7](=[O:8])(=[O:9])([O:10][H:38])[O:28][P:26]([O:25][C:24]([C@@:23]1([H:57])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:50]):[N:13]:[C:12]([N:11]([H:63])[H:64]):[C:17]:3:[N:18]:[C:19]:2[H:51])([H:52])[C@@:36]([O:37][H:61])([H:62])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:58])[O:35][H:59])[H:60])([H:55])[H:56])(=[O:27])[O:29][H:54]