SMIRKS
[H][N:1]([C:2](=[O:3])[C:4]1:[N:5]:[C:6]([H:31]):[N:7]([C@:8]2([H:32])[O:9][C@@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:33])[O:16][H:34])([H:35])[H:36])([H:37])[C@:17]([O:18][H:38])([H:39])[C@:19]2([O:20][H:40])[H:41]):[C:21]:1[N:22]([H:42])[H:43])[H:44]>>[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([C:2](=[O:3])[C:4]1:[N:5]:[C:6]([H:31]):[N:7]([C@:8]2([H:32])[O:9][C@@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:33])[O:16][H:34])([H:35])[H:36])([H:37])[C@:17]([O:18][H:38])([H:39])[C@:19]2([O:20][H:40])[H:41]):[C:21]:1[N:22]([H:42])[H:43])[H:44]
Derived Operators
EVODEX.1-F272 - Elemental Balance
| O | 4 |
| C | 4 |
| H | 4 |
EVODEX.1-M551 - Mass Difference
116.01092
EVODEX.1-E819 - Reaction Operator E
[#7:1](-[#6:2])(-[H:46])-[H]>>[#7:1](-[#6:2])(-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])-[H:46]
EVODEX.1-C749 - Reaction Operator C
[H]-[#7:1]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1]
EVODEX.1-N956 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:46]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[#6:2])-[H:46]
Source Full Reactions
EVODEX.1-R7091
[H][N:1]([C:2](=[O:3])[C:4]1:[N:5]:[C:6]([H:31]):[N:7]([C@:8]2([H:32])[O:9][C@@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:33])[O:16][H:34])([H:35])[H:36])([H:37])[C@:17]([O:18][H:38])([H:39])[C@:19]2([O:20][H:40])[H:41]):[C:21]:1[N:22]([H:42])[H:43])[H:44].[O:23]=[C:24]([O:25][H:46])[C:26](=[C:27]([C:28](=[O:29])[O:30][H:47])[H:48])[H:49]>>[H][C:27]([C@:26]([N:1]([C:2](=[O:3])[C:4]1:[N:5]:[C:6]([H:31]):[N:7]([C@:8]2([H:32])[O:9][C@@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:33])[O:16][H:34])([H:35])[H:36])([H:37])[C@:17]([O:18][H:38])([H:39])[C@:19]2([O:20][H:40])[H:41]):[C:21]:1[N:22]([H:42])[H:43])[H:44])([C:24](=[O:23])[O:25][H:46])[H:49])([C:28](=[O:29])[O:30][H:47])[H:48]