EVODEX.1-P5982

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66].[H][O:49][H:76]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:17][P:19](=[O:20])([O:21][H:54])[O:49][H:76].[H][O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E282 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]-[#15:24]-[#8:26]-[H].[#8:32](-[H:49])-[H]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:26]-[#15:24]-[#8:23]-[H])-[#8:32]-[H:49]

EVODEX.1-C718 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])

EVODEX.1-N885 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]-[H:49]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]-[H:49]

EVODEX.1-Em696 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]

EVODEX.1-Cm282 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])

EVODEX.1-Nm625 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]

Source Full Reactions

EVODEX.1-R6626

Full Reaction Rendering

[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66].[H][O:49][H:76]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:17][P:19](=[O:20])([O:21][H:54])[O:49][H:76].[H][O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66]