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EVODEX.1-P3734

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:45]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:46]):[C:9]([O:10][S:11](=[O:12])(=[O:13])[O:14][H:47]):[C:15]([H:48]):[C:16]([H:49]):[C:17]:1:2)([H:50])([H:51])[H:52].[H][O:35][P:33]([O:32][C:31]([C@@:30]1([H:60])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:53]):[N:20]:[C:19]([N:18]([H:66])[H:67]):[C:24]:3:[N:25]:[C:26]:2[H:54])([H:55])[C@@:43]([O:44][H:64])([H:65])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])[H:63])([H:58])[H:59])(=[O:34])[O:36][H:57]>>[H][O:10][C:9]1:[C:8]([H:46]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:45]):[C:2]([C:1]([H:50])([H:51])[H:52]):[C:17]:2:[C:16]([H:49]):[C:15]:1[H:48].[S:11](=[O:12])(=[O:13])([O:14][H:47])[O:35][P:33]([O:32][C:31]([C@@:30]1([H:60])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:53]):[N:20]:[C:19]([N:18]([H:66])[H:67]):[C:24]:3:[N:25]:[C:26]:2[H:54])([H:55])[C@@:43]([O:44][H:64])([H:65])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])[H:63])([H:58])[H:59])(=[O:34])[O:36][H:57]

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-R4563

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:45]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:46]):[C:9]([O:10][S:11](=[O:12])(=[O:13])[O:14][H:47]):[C:15]([H:48]):[C:16]([H:49]):[C:17]:1:2)([H:50])([H:51])[H:52].[H][O:35][P:33]([O:32][C:31]([C@@:30]1([H:60])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:53]):[N:20]:[C:19]([N:18]([H:66])[H:67]):[C:24]:3:[N:25]:[C:26]:2[H:54])([H:55])[C@@:43]([O:44][H:64])([H:65])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])[H:63])([H:58])[H:59])(=[O:34])[O:36][H:57]>>[H][O:10][C:9]1:[C:8]([H:46]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:45]):[C:2]([C:1]([H:50])([H:51])[H:52]):[C:17]:2:[C:16]([H:49]):[C:15]:1[H:48].[S:11](=[O:12])(=[O:13])([O:14][H:47])[O:35][P:33]([O:32][C:31]([C@@:30]1([H:60])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:53]):[N:20]:[C:19]([N:18]([H:66])[H:67]):[C:24]:3:[N:25]:[C:26]:2[H:54])([H:55])[C@@:43]([O:44][H:64])([H:65])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])[H:63])([H:58])[H:59])(=[O:34])[O:36][H:57]