SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:16]([C@@:15]([C:14]([O:13][C:11]([O:10][C:9]1:[C:8]([H:33]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:32]):[C:2]([C:1]([H:49])([H:50])[H:51]):[C:31]:2:[C:30]([H:48]):[C:29]:1[H:47])=[O:12])([H:45])[H:46])([C:26](=[O:27])[O:28][H:43])[H:44])[H:42]>>[H][N:16]([C@@:15]([C:14]([O:13][C:11]([O:10][C:9]1:[C:8]([H:33]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:32]):[C:2]([C:1]([H:49])([H:50])[H:51]):[C:31]:2:[C:30]([H:48]):[C:29]:1[H:47])=[O:12])([H:45])[H:46])([C:26](=[O:27])[O:28][H:43])[H:44])[H:42]
Derived Operators
EVODEX.1-F221 - Elemental Balance
| O | -3 |
| C | -5 |
| N | -1 |
| H | -7 |
EVODEX.1-M73 - Mass Difference
-129.04261
EVODEX.1-E932 - Reaction Operator E
[#6:5]-[#7:6](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:30]>>[#6:5]-[#7:6](-[H:30])-[H]
EVODEX.1-C368 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7]>>[H]-[#7:7]
EVODEX.1-N426 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7](-[#6:8])-[H:28]>>[H]-[#7:7](-[#6:8])-[H:28]
Source Full Reactions
EVODEX.1-R7108
[H][N:22]([C@@:21]([C:20]([C:19]([C:17]([N:16]([C@@:15]([C:14]([O:13][C:11]([O:10][C:9]1:[C:8]([H:33]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:32]):[C:2]([C:1]([H:49])([H:50])[H:51]):[C:31]:2:[C:30]([H:48]):[C:29]:1[H:47])=[O:12])([H:45])[H:46])([C:26](=[O:27])[O:28][H:43])[H:44])[H:42])=[O:18])([H:40])[H:41])([H:38])[H:39])([C:23](=[O:24])[O:25][H:36])[H:37])[H:34]>>[C:17]1(=[O:18])[C:19]([H:40])([H:41])[C:20]([H:38])([H:39])[C@:21]([C:23](=[O:24])[O:25][H:36])([H:37])[N:22]1[H:34].[H][N:16]([C@@:15]([C:14]([O:13][C:11]([O:10][C:9]1:[C:8]([H:33]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:32]):[C:2]([C:1]([H:49])([H:50])[H:51]):[C:31]:2:[C:30]([H:48]):[C:29]:1[H:47])=[O:12])([H:45])[H:46])([C:26](=[O:27])[O:28][H:43])[H:44])[H:42]