EVODEX.1-P3592

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C:11]([C@:12]([C:13]([F:14])([H:45])[H:46])([O:15][C:16]([P:17](=[O:18])([O:19][H:47])[O:20][P:21](=[O:22])([O:23][H:48])[O:24][P:25](=[O:26])([O:27][H:49])[O:28][H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57].[H][O:38][C:37]1([H:62])[O:36][C@@:35]([C:34]([O:33][P:30](=[O:29])([O:31][H:58])[O:32][H:59])([H:67])[H:68])([H:60])[C@:41]([O:42][H:65])([H:66])[C@:39]1([O:40][H:63])[H:64]>>[H][O:20][P:17]([C:16]([O:15][C@:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:2:[N:8]:[C:9]:1[H:44])([H:54])[H:55])([C:13]([F:14])([H:45])[H:46])[H:53])([H:51])[H:52])(=[O:18])[O:19][H:47].[P:21](=[O:22])([O:23][H:48])([O:24][P:25](=[O:26])([O:27][H:49])[O:28][H:50])[O:38][C@@:37]1([H:62])[O:36][C@@:35]([C:34]([O:33][P:30](=[O:29])([O:31][H:58])[O:32][H:59])([H:67])[H:68])([H:60])[C@:41]([O:42][H:65])([H:66])[C@:39]1([O:40][H:63])[H:64]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C994 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:19]-[#15:20].[H]-[#8:37]-[#6:36]>>[H]-[#8:19].[#15:20]-[#8:37]-[#6@@:36]

EVODEX.1-N1233 - Reaction Operator N

Reaction Operator N SMIRKS

[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[H]-[#8:37]-[#6:36](-[H:62])(-[#8:35])-[#6@:38]>>[H]-[#8:19]-[#15:16].[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:37]-[#6@@:36](-[H:62])(-[#8:35])-[#6@:38]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4329

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C:11]([C@:12]([C:13]([F:14])([H:45])[H:46])([O:15][C:16]([P:17](=[O:18])([O:19][H:47])[O:20][P:21](=[O:22])([O:23][H:48])[O:24][P:25](=[O:26])([O:27][H:49])[O:28][H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57].[H][O:38][C:37]1([H:62])[O:36][C@@:35]([C:34]([O:33][P:30](=[O:29])([O:31][H:58])[O:32][H:59])([H:67])[H:68])([H:60])[C@:41]([O:42][H:65])([H:66])[C@:39]1([O:40][H:63])[H:64]>>[H][O:20][P:17]([C:16]([O:15][C@:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:2:[N:8]:[C:9]:1[H:44])([H:54])[H:55])([C:13]([F:14])([H:45])[H:46])[H:53])([H:51])[H:52])(=[O:18])[O:19][H:47].[P:21](=[O:22])([O:23][H:48])([O:24][P:25](=[O:26])([O:27][H:49])[O:28][H:50])[O:38][C@@:37]1([H:62])[O:36][C@@:35]([C:34]([O:33][P:30](=[O:29])([O:31][H:58])[O:32][H:59])([H:67])[H:68])([H:60])[C@:41]([O:42][H:65])([H:66])[C@:39]1([O:40][H:63])[H:64]