SMIRKS
[N:1](=[C:2]1:[N:3]([H:41]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:42]):[N:9]([C@:10]3([H:43])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:44])[O:18][P:19](=[O:20])([O:21][H:45])[O:22][H:46])([H:47])[H:48])([H:49])[C@:23]([O:24][H:50])([H:51])[C@:25]3([O:26][H:52])[H:53]):[C:27]:2:[N:28]:1[H:54])[H:55]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:49])[O:11][C@:10]([N:9]2:[C:8]([H:42]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:41]):[C:2](=[N:1][H:55]):[N:28]([H:54]):[C:27]:3:2)([H:43])[C@@:25]([O:26][H:52])([H:53])[C@@:23]1([O:24][H:50])[H:51])([H:47])[H:48])(=[O:16])[O:17][H:44].[H]OC1([H])O[C@]([H])(C([H])([H])O[P:19](=[O:20])([O:21][H:45])[O:22][H:46])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F315 - Elemental Balance
| O | 6 |
| C | 6 |
| H | 12 |
EVODEX.1-M53 - Mass Difference
180.06336000000002
EVODEX.1-E1088 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C967 - Reaction Operator C
([#8:18]-[#15:19].[#6@:23]-[#6@:25])>>([H]-[#8:18].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:19])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N1210 - Reaction Operator N
([#15:15]-[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[#8:24]-[#6@@:23](-[#6@@:12])(-[H:51])-[#6@:25](-[#6@:10])(-[#8:26])-[H:53])>>([H]-[#8:18]-[#15:15].[#8:26]-[#6@:25](-[#6@:10])(-[H:53])-[#6@@:23](-[#6@@:12])(-[#8:24])-[H:51]).[H]-[#8]-[#6]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R3934
[N:1](=[C:2]1:[N:3]([H:41]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:42]):[N:9]([C@:10]3([H:43])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:44])[O:18][P:19](=[O:20])([O:21][H:45])[O:22][H:46])([H:47])[H:48])([H:49])[C@:23]([O:24][H:50])([H:51])[C@:25]3([O:26][H:52])[H:53]):[C:27]:2:[N:28]:1[H:54])[H:55].[H][O:29][C:30]([C@@:31]1([H:56])[O:32][C:33]([O:34][H:57])([H:58])[C@@:35]([O:36][H:59])([H:60])[C@:37]([O:38][H:61])([H:62])[C@@:39]1([O:40][H:63])[H:64])([H:65])[H:66]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:49])[O:11][C@:10]([N:9]2:[C:8]([H:42]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:41]):[C:2](=[N:1][H:55]):[N:28]([H:54]):[C:27]:3:2)([H:43])[C@@:25]([O:26][H:52])([H:53])[C@@:23]1([O:24][H:50])[H:51])([H:47])[H:48])(=[O:16])[O:17][H:44].[P:19](=[O:20])([O:21][H:45])([O:22][H:46])[O:29][C:30]([C@@:31]1([H:56])[O:32][C:33]([O:34][H:57])([H:58])[C@@:35]([O:36][H:59])([H:60])[C@:37]([O:38][H:61])([H:62])[C@@:39]1([O:40][H:63])[H:64])([H:65])[H:66]