EVODEX.1-P3648

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:42]):[N:4]([C@@:5]2([H:43])[C:6]([H:44])([H:45])[C@@:7]([O:8][H:46])([H:47])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:48])[O:15][P:16](=[O:17])([O:18][H:49])[O:19][C:20]3([H:50])[O:21][C@@:22]([C:23]([O:24][H:51])([H:52])[H:53])([H:54])[C@:25]([O:26][H:55])([H:56])[C@@:27]([O:28][H:57])([H:58])[C@@:29]3([O:30][H:59])[H:60])([H:61])[H:62])([H:63])[O:31]2):[C:32](=[O:33]):[N:34]([H:64]):[C:35]:1=[O:36])([H:65])([H:66])[H:67].[H][O:39][P:38](=[O:37])([O:40][H:69])[O:41][H:70]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:63])[C@:7]([O:8][H:46])([H:47])[C:6]([H:44])([H:45])[C@@:5]([N:4]2:[C:3]([H:42]):[C:2]([C:1]([H:65])([H:66])[H:67]):[C:35](=[O:36]):[N:34]([H:64]):[C:32]:2=[O:33])([H:43])[O:31]1)([H:61])[H:62])(=[O:13])[O:14][H:48])(=[O:17])[O:18][H:49].[C:20]1([O:39][P:38](=[O:37])([O:40][H:69])[O:41][H:70])([H:50])[O:21][C@@:22]([C:23]([O:24][H:51])([H:52])[H:53])([H:54])[C@:25]([O:26][H:55])([H:56])[C@@:27]([O:28][H:57])([H:58])[C@@:29]1([O:30][H:59])[H:60]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E132 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:20]-[#8:22]-[H].[#15:29]-[#8:32]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42]>>[#15:20]-[#8:22]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42].[#15:29]-[#8:32]-[H]

EVODEX.1-C870 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:16]-[#6@:17].[#6@:7]).[H]-[#8:44]>>[#8:44]-[#6@:17].([H]-[#8:16].[#6@@:7])

EVODEX.1-N1702 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:6]-[#6@@:7](-[#8:8])(-[H:47])-[#6@:9].[#15:16]-[#8:19]-[#6:20](-[H:50])(-[#8:21])-[#6@@:29]).[H]-[#8:39]-[#15:38]>>([H]-[#8:19]-[#15:16].[#8:8]-[#6@@:7](-[#6@:9])(-[H:47])-[#6:6]).[#6:20](-[#8:39]-[#15:38])(-[H:50])(-[#8:21])-[#6@@:29]

EVODEX.1-Em100 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm133 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]

Source Full Reactions

EVODEX.1-R4423

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:42]):[N:4]([C@@:5]2([H:43])[C:6]([H:44])([H:45])[C@@:7]([O:8][H:46])([H:47])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:48])[O:15][P:16](=[O:17])([O:18][H:49])[O:19][C:20]3([H:50])[O:21][C@@:22]([C:23]([O:24][H:51])([H:52])[H:53])([H:54])[C@:25]([O:26][H:55])([H:56])[C@@:27]([O:28][H:57])([H:58])[C@@:29]3([O:30][H:59])[H:60])([H:61])[H:62])([H:63])[O:31]2):[C:32](=[O:33]):[N:34]([H:64]):[C:35]:1=[O:36])([H:65])([H:66])[H:67].[H][O:39][P:38](=[O:37])([O:40][H:69])[O:41][H:70]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:63])[C@:7]([O:8][H:46])([H:47])[C:6]([H:44])([H:45])[C@@:5]([N:4]2:[C:3]([H:42]):[C:2]([C:1]([H:65])([H:66])[H:67]):[C:35](=[O:36]):[N:34]([H:64]):[C:32]:2=[O:33])([H:43])[O:31]1)([H:61])[H:62])(=[O:13])[O:14][H:48])(=[O:17])[O:18][H:49].[C:20]1([O:39][P:38](=[O:37])([O:40][H:69])[O:41][H:70])([H:50])[O:21][C@@:22]([C:23]([O:24][H:51])([H:52])[H:53])([H:54])[C@:25]([O:26][H:55])([H:56])[C@@:27]([O:28][H:57])([H:58])[C@@:29]1([O:30][H:59])[H:60]