SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@]([H])([O:25][P:22]([O:21][P:18]([O:17][C:16]([C@:15]2([H:65])[C@:13]([O:14][H:48])([H:49])[C:12]([H:46])([H:47])[C@@:11]([N:10]3:[C:6]4:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:66])[H:67]):[C:7]:4:[N:8]:[C:9]:3[H:44])([H:45])[O:37]2)([H:63])[H:64])(=[O:19])[O:20][H:50])(=[O:23])[O:24][H:51])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:25][P:22]([O:21][P:18]([O:17][C:16]([C@:15]1([H:65])[C@:13]([O:14][H:48])([H:49])[C:12]([H:46])([H:47])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:66])[H:67]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[O:37]1)([H:63])[H:64])(=[O:19])[O:20][H:50])(=[O:23])[O:24][H:51]
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E521 - Reaction Operator E
[#15:12]-[#8:15]-[#6]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#15:12]-[#8:15]-[H]
EVODEX.1-C83 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:7])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]
EVODEX.1-N447 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:25]-[#15:22])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:25]-[#15:22]
Source Full Reactions
EVODEX.1-R4420
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@@:11]1([H:45])[C:12]([H:46])([H:47])[C@@:13]([O:14][H:48])([H:49])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:50])[O:21][P:22](=[O:23])([O:24][H:51])[O:25][C@@:26]2([H:52])[O:27][C@@:28]([C:29]([O:30][H:53])([H:54])[H:55])([H:56])[C@:31]([O:32][H:57])([H:58])[C@@:33]([O:34][H:59])([H:60])[C@:35]2([O:36][H:61])[H:62])([H:63])[H:64])([H:65])[O:37]1)([H:66])[H:67].[H][O:40][P:39](=[O:38])([O:41][H:69])[O:42][H:70]>>[C@:26]1([O:40][P:39](=[O:38])([O:41][H:69])[O:42][H:70])([H:52])[O:27][C@@:28]([C:29]([O:30][H:53])([H:54])[H:55])([H:56])[C@:31]([O:32][H:57])([H:58])[C@@:33]([O:34][H:59])([H:60])[C@:35]1([O:36][H:61])[H:62].[H][O:25][P:22]([O:21][P:18]([O:17][C:16]([C@:15]1([H:65])[C@:13]([O:14][H:48])([H:49])[C:12]([H:46])([H:47])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:66])[H:67]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[O:37]1)([H:63])[H:64])(=[O:19])[O:20][H:50])(=[O:23])[O:24][H:51]