EVODEX Logo

EVODEX.1-P3417

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OP(=O)(O[H])[O:11][C:10]([C@@:9]1([H:54])[O:8][C:6]([O:7][H:48])([H:49])[C@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:47])[C@:18]([O:19][H:57])([H:58])[C@@:16]1([O:17][H:55])[H:56])([H:52])[H:53]>>[H][O:11][C:10]([C@@:9]1([H:54])[O:8][C:6]([O:7][H:48])([H:49])[C@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:47])[C@:18]([O:19][H:57])([H:58])[C@@:16]1([O:17][H:55])[H:56])([H:52])[H:53]

Derived Operators

EVODEX.1-F114 - Elemental Balance

P-1
O-3
H-1

EVODEX.1-M33 - Mass Difference

-79.96633

EVODEX.1-E726 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#8:8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#6:6]-[#8:8]-[H]

EVODEX.1-C46 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]

EVODEX.1-N570 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:36]-[#6:35]>>[H]-[#8:36]-[#6:35]

EVODEX.1-Em79 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

EVODEX.1-Cm44 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm100 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:19]-[#6:20]>>[H]-[#8:19]-[#6:20]

Source Full Reactions

EVODEX.1-R5018

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:21])[C:6]([O:7][H:22])([H:23])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:24])[O:15][H:25])([H:26])[H:27])([H:28])[C@:16]([O:17][H:29])([H:30])[C@@:18]1([O:19][H:31])[H:32])[H:33])([H:34])([H:35])[H:36].[H][O:20][H:37]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:21])[C:6]([O:7][H:22])([H:23])[O:8][C@@:9]([C:10]([O:20][H:37])([H:26])[H:27])([H:28])[C@:16]([O:17][H:29])([H:30])[C@@:18]1([O:19][H:31])[H:32])[H:33])([H:34])([H:35])[H:36].[H][O:11][P:12](=[O:13])([O:14][H:24])[O:15][H:25]

EVODEX.1-R4092

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:47])[C:6]([O:7][H:48])([H:49])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][H:51])([H:52])[H:53])([H:54])[C@:16]([O:17][H:55])([H:56])[C@@:18]1([O:19][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:41][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[C@@:45]([O:46][H:74])([H:75])[C@@:43]1([O:44][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:66])(=[O:40])[O:42][H:68]>>[H][O:11][C:10]([C@@:9]1([H:54])[O:8][C:6]([O:7][H:48])([H:49])[C@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:47])[C@:18]([O:19][H:57])([H:58])[C@@:16]1([O:17][H:55])[H:56])([H:52])[H:53].[P:12](=[O:13])([O:14][H:50])([O:15][H:51])[O:41][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:63]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:64])([H:65])[C@@:45]([O:46][H:74])([H:75])[C@@:43]1([O:44][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:66])(=[O:40])[O:42][H:68]