SMIRKS
[H][N:11]([C@@:12]([C:13]([S:14][H:47])([H:48])[H:49])([C:15](=[O:16])[O:17][H:50])[H:51])[H:52].[H]OP(=O)(O[H])O[P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:72])[O:24][C@:23]([N:22]2:[C:21]([H:64]):[C:20]([H:63]):[C:19](=[O:18]):[N:46]([H:77]):[C:44]:2=[O:45])([H:65])[C@@:42]([O:43][H:75])([H:76])[C@@:40]1([O:41][H:73])[H:74])([H:70])[H:71])(=[O:29])[O:30][H:66])(=[O:33])[O:34][H:67]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:11]([C@@:12]([C:13]([S:14][H:47])([H:48])[H:49])([C:15](=[O:16])[O:17][H:50])[H:51])[H:52].[H]O[P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:72])[O:24][C@:23]([N:22]2:[C:21]([H:64]):[C:20]([H:63]):[C:19](=[O:18]):[N:46]([H:77]):[C:44]:2=[O:45])([H:65])[C@@:42]([O:43][H:75])([H:76])[C@@:40]1([O:41][H:73])[H:74])([H:70])[H:71])(=[O:29])[O:30][H:66])(=[O:33])[O:34][H:67]
Derived Operators
EVODEX.1-F416 - Elemental Balance
| P | -1 |
| C | 5 |
| N | 1 |
| H | 6 |
EVODEX.1-M161 - Mass Difference
49.07628
EVODEX.1-E1224 - Reaction Operator E
[#7:1](-[#6:2])(-[H:70])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:83])-[#6@:50](-[#6@:31])(-[#8:51])-[H:85])>>[#7:1](-[#6:2])(-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:70].([#8]-[H].[#8:51]-[#6@:50](-[#6@:31])(-[H:85])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:83])
EVODEX.1-C791 - Reaction Operator C
[H]-[#7:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6].[H]-[#8]
EVODEX.1-N1002 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:54].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:54].[H]-[#8]
Source Full Reactions
EVODEX.1-R7661
[H][N:11]([C@@:12]([C:13]([S:14][H:47])([H:48])[H:49])([C:15](=[O:16])[O:17][H:50])[H:51])[H:52].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:54])([H:55])[H:56])([H:57])[H:58])([C:8](=[O:9])[O:10][H:59])[H:60])([H:61])[H:62].[O:18]=[C:19]1:[C:20]([H:63]):[C:21]([H:64]):[N:22]([C@:23]2([H:65])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:66])[O:31][P:32](=[O:33])([O:34][H:67])[O:35][P:36](=[O:37])([O:38][H:68])[O:39][H:69])([H:70])[H:71])([H:72])[C@:40]([O:41][H:73])([H:74])[C@:42]2([O:43][H:75])[H:76]):[C:44](=[O:45]):[N:46]:1[H:77]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:11]([C@@:12]([C:13]([S:14][H:47])([H:48])[H:49])([C:15](=[O:16])[O:17][H:50])[H:51])[H:52])([H:55])[H:56])([H:57])[H:58])([C:8](=[O:9])[O:10][H:59])[H:60])([H:61])[H:62].[H][O:35][P:36](=[O:37])([O:38][H:68])[O:39][H:69].[O:7]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:72])[O:24][C@:23]([N:22]2:[C:21]([H:64]):[C:20]([H:63]):[C:19](=[O:18]):[N:46]([H:77]):[C:44]:2=[O:45])([H:65])[C@@:42]([O:43][H:75])([H:76])[C@@:40]1([O:41][H:73])[H:74])([H:70])[H:71])(=[O:29])[O:30][H:66])(=[O:33])[O:34][H:67])[H:54]