SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP(=O)(O[H])O[P:25]([O:24][C:23]([C@@:22]2([H:67])[O:21][C@:20]([N:19]3:[C:15]4:[N:14]:[C:13]([H:49]):[N:12]([H:48]):[C:11](=[O:10]):[C:16]:4:[N:17]:[C:18]:3[H:50])([H:51])[C@@:46]([O:47][H:70])([H:71])[C@@:44]2([O:45][H:68])[H:69])([H:65])[H:66])(=[O:26])[O:27][H:52])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:3][P:2](=[O:1])([O:4][H:73])[O:5][P:6](=[O:7])([O:8][H:74])[O:9][H:75]>>[O:1]=[P:2]([O:3][P:25]([O:24][C:23]([C@@:22]1([H:67])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:49]):[N:12]([H:48]):[C:11](=[O:10]):[C:16]:3:[N:17]:[C:18]:2[H:50])([H:51])[C@@:46]([O:47][H:70])([H:71])[C@@:44]1([O:45][H:68])[H:69])([H:65])[H:66])(=[O:26])[O:27][H:52])([O:4][H:73])[O:5][P:6](=[O:7])([O:8][H:74])[O:9][H:75]
Derived Operators
EVODEX.1-F314 - Elemental Balance
| P | -1 |
| O | -9 |
| C | -6 |
| H | -13 |
EVODEX.1-M328 - Mass Difference
-260.02969
EVODEX.1-E1087 - Reaction Operator E
([#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H].[#8:40]-[#6@@:39](-[#6@@:17])(-[H:66])-[#6@:41](-[#6@:15])(-[#8:42])-[H:68]).[#15:2]-[#8:3]-[H]>>([#15:2]-[#8:3]-[#15:20](-[#8:19])(=[#8:21])-[#8:22].[#8:42]-[#6@:41](-[#6@:15])(-[H:68])-[#6@@:39](-[#6@@:17])(-[#8:40])-[H:66])
EVODEX.1-C889 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:28])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:3]>>[#8:3]-[#15:28]
EVODEX.1-N1110 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:28](-[#8:27])(=[#8:29])-[#8:30])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:3]-[#15:2]>>[#15:2]-[#8:3]-[#15:28](-[#8:27])(=[#8:29])-[#8:30]
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4382
[O:10]=[C:11]1:[N:12]([H:48]):[C:13]([H:49]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:50]):[N:19]:2[C@:20]1([H:51])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:52])[O:28][P:29](=[O:30])([O:31][H:53])[O:32][C@@:33]2([H:54])[O:34][C@@:35]([C:36]([O:37][H:55])([H:56])[H:57])([H:58])[C@:38]([O:39][H:59])([H:60])[C@@:40]([O:41][H:61])([H:62])[C@@:42]2([O:43][H:63])[H:64])([H:65])[H:66])([H:67])[C@:44]([O:45][H:68])([H:69])[C@:46]1([O:47][H:70])[H:71].[H][O:3][P:2](=[O:1])([O:4][H:73])[O:5][P:6](=[O:7])([O:8][H:74])[O:9][H:75]>>[O:1]=[P:2]([O:3][P:25]([O:24][C:23]([C@@:22]1([H:67])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:49]):[N:12]([H:48]):[C:11](=[O:10]):[C:16]:3:[N:17]:[C:18]:2[H:50])([H:51])[C@@:46]([O:47][H:70])([H:71])[C@@:44]1([O:45][H:68])[H:69])([H:65])[H:66])(=[O:26])[O:27][H:52])([O:4][H:73])[O:5][P:6](=[O:7])([O:8][H:74])[O:9][H:75].[H][O:28][P:29](=[O:30])([O:31][H:53])[O:32][C@@:33]1([H:54])[O:34][C@@:35]([C:36]([O:37][H:55])([H:56])[H:57])([H:58])[C@:38]([O:39][H:59])([H:60])[C@@:40]([O:41][H:61])([H:62])[C@@:42]1([O:43][H:63])[H:64]