SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP(=O)(O[H])O[P:28]([O:27][C:26]([C@@:25]2([H:72])[O:24][C@:23]([N:22]3:[C:21]([H:55]):[C:20]([H:54]):[C:19](=[O:18]):[N:53]([H:77]):[C:51]:3=[O:52])([H:56])[C@@:49]([O:50][H:75])([H:76])[C@@:47]2([O:48][H:73])[H:74])([H:70])[H:71])(=[O:29])[O:30][H:57])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:3][P:2](=[O:1])([O:4][H:79])[O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][P:14](=[O:15])([O:16][H:82])[O:17][H:83]>>[O:1]=[P:2]([O:3][P:28]([O:27][C:26]([C@@:25]1([H:72])[O:24][C@:23]([N:22]2:[C:21]([H:55]):[C:20]([H:54]):[C:19](=[O:18]):[N:53]([H:77]):[C:51]:2=[O:52])([H:56])[C@@:49]([O:50][H:75])([H:76])[C@@:47]1([O:48][H:73])[H:74])([H:70])[H:71])(=[O:29])[O:30][H:57])([O:4][H:79])[O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][P:14](=[O:15])([O:16][H:82])[O:17][H:83]
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-R4504
[O:18]=[C:19]1:[C:20]([H:54]):[C:21]([H:55]):[N:22]([C@:23]2([H:56])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:57])[O:31][P:32](=[O:33])([O:34][H:58])[O:35][C@@:36]3([H:59])[O:37][C@@:38]([C:39]([O:40][H:60])([H:61])[H:62])([H:63])[C@:41]([O:42][H:64])([H:65])[C@@:43]([O:44][H:66])([H:67])[C@:45]3([O:46][H:68])[H:69])([H:70])[H:71])([H:72])[C@:47]([O:48][H:73])([H:74])[C@:49]2([O:50][H:75])[H:76]):[C:51](=[O:52]):[N:53]:1[H:77].[H][O:3][P:2](=[O:1])([O:4][H:79])[O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][P:14](=[O:15])([O:16][H:82])[O:17][H:83]>>[O:1]=[P:2]([O:3][P:28]([O:27][C:26]([C@@:25]1([H:72])[O:24][C@:23]([N:22]2:[C:21]([H:55]):[C:20]([H:54]):[C:19](=[O:18]):[N:53]([H:77]):[C:51]:2=[O:52])([H:56])[C@@:49]([O:50][H:75])([H:76])[C@@:47]1([O:48][H:73])[H:74])([H:70])[H:71])(=[O:29])[O:30][H:57])([O:4][H:79])[O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][P:14](=[O:15])([O:16][H:82])[O:17][H:83].[H][O:31][P:32](=[O:33])([O:34][H:58])[O:35][C@@:36]1([H:59])[O:37][C@@:38]([C:39]([O:40][H:60])([H:61])[H:62])([H:63])[C@:41]([O:42][H:64])([H:65])[C@@:43]([O:44][H:66])([H:67])[C@:45]1([O:46][H:68])[H:69]