EVODEX.1-P3595

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@@:2]([C:3]([N:4]1:[C:5]([H:42]):[N:6]:[C:7]2:[C:8]([N:9]([H:43])[H:44]):[N:10]:[C:11]([H:45]):[N:12]:[C:13]:1:2)([H:46])[H:47])([O:14][C:15]([P:16](=[O:17])([O:18][H:48])[O:19][P:20](=[O:21])([O:22][H:49])[O:23][P:24](=[O:25])([O:26][H:50])[O:27][H:51])([H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:37][C:36]1([H:62])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:58])[O:31][H:59])([H:67])[H:68])([H:60])[C@:40]([O:41][H:65])([H:66])[C@:38]1([O:39][H:63])[H:64]>>[H][O:19][P:16]([C:15]([O:14][C@@:2]([C:1]([H:55])([H:56])[H:57])([C:3]([N:4]1:[C:5]([H:42]):[N:6]:[C:7]2:[C:8]([N:9]([H:43])[H:44]):[N:10]:[C:11]([H:45]):[N:12]:[C:13]:1:2)([H:46])[H:47])[H:54])([H:52])[H:53])(=[O:17])[O:18][H:48].[P:20](=[O:21])([O:22][H:49])([O:23][P:24](=[O:25])([O:26][H:50])[O:27][H:51])[O:37][C@@:36]1([H:62])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:58])[O:31][H:59])([H:67])[H:68])([H:60])[C@:40]([O:41][H:65])([H:66])[C@:38]1([O:39][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-R4331

Full Reaction Rendering

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