EVODEX.1-P3589

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C:11]([C:12]([O:13][C:14]([P:15](=[O:16])([O:17][H:43])[O:18][P:19](=[O:20])([O:21][H:44])[O:22][P:23](=[O:24])([O:25][H:45])[O:26][H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54].[H][O:36][C:35]1([H:59])[O:34][C@@:33]([C:32]([O:31][P:28](=[O:27])([O:29][H:55])[O:30][H:56])([H:64])[H:65])([H:57])[C@:39]([O:40][H:62])([H:63])[C@:37]1([O:38][H:60])[H:61]>>[H][O:18][P:15]([C:14]([O:13][C:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:53])[H:54]):[C:7]:2:[N:8]:[C:9]:1[H:42])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])(=[O:16])[O:17][H:43].[P:19](=[O:20])([O:21][H:44])([O:22][P:23](=[O:24])([O:25][H:45])[O:26][H:46])[O:36][C@@:35]1([H:59])[O:34][C@@:33]([C:32]([O:31][P:28](=[O:27])([O:29][H:55])[O:30][H:56])([H:64])[H:65])([H:57])[C@:39]([O:40][H:62])([H:63])[C@:37]1([O:38][H:60])[H:61]

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-R4326

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C:11]([C:12]([O:13][C:14]([P:15](=[O:16])([O:17][H:43])[O:18][P:19](=[O:20])([O:21][H:44])[O:22][P:23](=[O:24])([O:25][H:45])[O:26][H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54].[H][O:36][C:35]1([H:59])[O:34][C@@:33]([C:32]([O:31][P:28](=[O:27])([O:29][H:55])[O:30][H:56])([H:64])[H:65])([H:57])[C@:39]([O:40][H:62])([H:63])[C@:37]1([O:38][H:60])[H:61]>>[H][O:18][P:15]([C:14]([O:13][C:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:53])[H:54]):[C:7]:2:[N:8]:[C:9]:1[H:42])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])(=[O:16])[O:17][H:43].[P:19](=[O:20])([O:21][H:44])([O:22][P:23](=[O:24])([O:25][H:45])[O:26][H:46])[O:36][C@@:35]1([H:59])[O:34][C@@:33]([C:32]([O:31][P:28](=[O:27])([O:29][H:55])[O:30][H:56])([H:64])[H:65])([H:57])[C@:39]([O:40][H:62])([H:63])[C@:37]1([O:38][H:60])[H:61]