SMIRKS
[H]OC1:C(C([H])([H])[H]):N:C([H]):C(C([H])([H])OP(=O)(O[H])O[H]):C:1C([H])([H])[N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[O:40]=[O:41]>>[H][N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[H][O:40][O:41][H]
Derived Operators
EVODEX.1-F260 - Elemental Balance
| P | -1 |
| O | -5 |
| C | -8 |
| N | -1 |
| H | -8 |
EVODEX.1-M310 - Mass Difference
-229.01403999999997
EVODEX.1-E988 - Reaction Operator E
[#6](-[#6]1:[#7]:[#6](-[H]):[#6](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H]):[#6](-[#6](-[#7:14](-[#6:15])-[H:36])(-[H])-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H].[#8:24]=[#8:25]>>[#7:14](-[#6:15])(-[H:36])-[H].[#8:24](-[#8:25]-[H])-[H]
EVODEX.1-C245 - Reaction Operator C
[H]-[#8]-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:10].[#8:30]=[#8:31]>>[H]-[#7:10].[H]-[#8:30]-[#8:31]-[H]
EVODEX.1-N253 - Reaction Operator N
[H]-[#8]-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:10](-[#6:9])-[H:43].[#8:30]=[#8:31]>>[H]-[#7:10](-[#6:9])-[H:43].[H]-[#8:30]-[#8:31]-[H]
EVODEX.1-Em375 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#7:10]-[#6:9].[#8:30]=[#8:31]>>[H]-[#7:10]-[#6:9].[H]-[#8:30]-[#8:31]-[H]
EVODEX.1-Cm132 - Reaction Operator Cm
[#6]-[#7:6].[#8:12]=[#8:13]>>[H]-[#7:6].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Nm335 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#7:10]-[#6:9].[#8:30]=[#8:31]>>[H]-[#7:10]-[#6:9].[H]-[#8:30]-[#8:31]-[H]
Source Full Reactions
EVODEX.1-R1028
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:43])[O:11][H:44])([H:45])[H:46]):[C:4]([H:42]):[N:3]:[C:2]([C:1]([H:74])([H:75])[H:76]):[C:37]:1[O:38][H:73])([N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70])[H:71].[O:40]=[O:41].[H][O:39][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:42]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:43])[O:11][H:44])([H:45])[H:46]):[C:12]([C:13](=[O:39])[H:71]):[C:37]:1[O:38][H:73])([H:74])([H:75])[H:76].[H][N:14]([C:15]([C:16]([C:17]([C:18]([C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]1:[C:25]([H:47]):[C:26]([H:48]):[C:27]([H:49]):[C:28]2:[C:29]([N:30]([C:31]([H:50])([H:51])[H:52])[C:32]([H:53])([H:54])[H:55]):[C:33]([H:56]):[C:34]([H:57]):[C:35]([H:58]):[C:36]:1:2)[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[H][O:40][O:41][H]