SMIRKS
[H][N:2]([C:1]([H:46])([H:47])[H:48])[H:44].[H]OP(=O)(O[H])O[P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:58])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:49]):[N:15]:[C:14]([N:13]([H:63])[H:64]):[C:19]:3:[N:20]:[C:21]:2[H:50])([H:51])[C@@:42]([O:43][H:61])([H:62])[C@@:40]1([O:41][H:59])[H:60])([H:56])[H:57])(=[O:29])[O:30][H:52])(=[O:33])[O:34][H:53].[N:3]([C@@:4]([C:5]([C:6]([C:7](=[O:8])[O:9][H:65])([H:66])[H:67])([H:68])[H:69])([C:10](=[O:11])[O:12][H:70])[H:71])([H:72])[H:73]>>[C:1]([N:2]([C:7]([C:6]([C:5]([C@:4]([N:3]([H:72])[H:73])([C:10](=[O:11])[O:12][H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:8])[H:44])([H:46])([H:47])[H:48].[O:9]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:58])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:49]):[N:15]:[C:14]([N:13]([H:63])[H:64]):[C:19]:3:[N:20]:[C:21]:2[H:50])([H:51])[C@@:42]([O:43][H:61])([H:62])[C@@:40]1([O:41][H:59])[H:60])([H:56])[H:57])(=[O:29])[O:30][H:52])(=[O:33])[O:34][H:53])[H:65]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E855 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8:17]-[H:52])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[H].([#8:39]-[#15:40](=[#8:41])(-[#8:42])-[#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])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70].([#8:17](-[#15:40](-[#8:39])(=[#8:41])-[#8:42])-[H:52].[#8:51]-[#6@:50](-[#6@:31])(-[H:85])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:83])
EVODEX.1-C174 - Reaction Operator C
[H]-[#7:1].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39].([#6:14]-[#8:16].[#6@@:7])>>([#7:1]-[#6:14].[#6@:7]).[#8:16]-[#15:39]
EVODEX.1-N1175 - Reaction Operator N
[H]-[#7:5](-[#6:4])-[H:50].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:38](-[#8:37])(=[#8:39])-[#8:40].[#7:9]-[#6@@:10](-[#6:11]-[#6:12]-[#6:13](=[#8:14])-[#8:15]-[H:75])(-[#6:16])-[H:81]>>[#6:4]-[#7:5](-[#6:13](-[#6:12]-[#6:11]-[#6@:10](-[#7:9])(-[#6:16])-[H:81])=[#8:14])-[H:50].[#8:15](-[#15:38](-[#8:37])(=[#8:39])-[#8:40])-[H:75]
EVODEX.1-Em34 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Cm50 - Reaction Operator Cm
[#6:42]-[#8:44].[H]-[#7:47].[#8]-[#15:72]>>[#6:42]-[#7:47].[#8:44]-[#15:72]
EVODEX.1-Nm35 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7665
[H][N:2]([C:1]([H:46])([H:47])[H:48])[H:44].[N:13]([C:14]1:[N:15]:[C:16]([H:49]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:50]):[N:22]:2[C@:23]1([H:51])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:52])[O:31][P:32](=[O:33])([O:34][H:53])[O:35][P:36](=[O:37])([O:38][H:54])[O:39][H:55])([H:56])[H:57])([H:58])[C@:40]([O:41][H:59])([H:60])[C@:42]1([O:43][H:61])[H:62])([H:63])[H:64].[N:3]([C@@:4]([C:5]([C:6]([C:7](=[O:8])[O:9][H:65])([H:66])[H:67])([H:68])[H:69])([C:10](=[O:11])[O:12][H:70])[H:71])([H:72])[H:73]>>[C:1]([N:2]([C:7]([C:6]([C:5]([C@:4]([N:3]([H:72])[H:73])([C:10](=[O:11])[O:12][H:70])[H:71])([H:68])[H:69])([H:66])[H:67])=[O:8])[H:44])([H:46])([H:47])[H:48].[H][O:35][P:36](=[O:37])([O:38][H:54])[O:39][H:55].[O:9]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:58])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:49]):[N:15]:[C:14]([N:13]([H:63])[H:64]):[C:19]:3:[N:20]:[C:21]:2[H:50])([H:51])[C@@:42]([O:43][H:61])([H:62])[C@@:40]1([O:41][H:59])[H:60])([H:56])[H:57])(=[O:29])[O:30][H:52])(=[O:33])[O:34][H:53])[H:65]