SMIRKS
[H]N([H])C([H])([H])C(=O)[N:17]1[C@@:13]([C:11]([N:10]([C:9]2:[C:8]([H:27]):[C:7]3:[O:6]:[C:4](=[O:5]):[C:3]([H:26]):[C:2]([C:1]([H:42])([H:43])[H:44]):[C:24]:3:[C:23]([H:41]):[C:22]:2[H:40])[H:39])=[O:12])([H:28])[C:14]([H:29])([H:30])[C:15]([H:31])([H:32])[C:16]1([H:33])[H:34]>>[H][N:17]1[C@@:13]([C:11]([N:10]([C:9]2:[C:8]([H:27]):[C:7]3:[O:6]:[C:4](=[O:5]):[C:3]([H:26]):[C:2]([C:1]([H:42])([H:43])[H:44]):[C:24]:3:[C:23]([H:41]):[C:22]:2[H:40])[H:39])=[O:12])([H:28])[C:14]([H:29])([H:30])[C:15]([H:31])([H:32])[C:16]1([H:33])[H:34]
Derived Operators
EVODEX.1-F262 - Elemental Balance
| O | -1 |
| C | -2 |
| N | -1 |
| H | -3 |
EVODEX.1-M86 - Mass Difference
-57.02149000000001
EVODEX.1-E993 - Reaction Operator E
[#6:12]-[#7:13](-[#6@:9])-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H]>>[#6:12]-[#7:13](-[#6@:9])-[H]
EVODEX.1-C133 - Reaction Operator C
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22]>>[H]-[#7:22]
EVODEX.1-N750 - Reaction Operator N
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:6])-[#6@:9]>>[H]-[#7:5](-[#6:6])-[#6@:9]
EVODEX.1-Em127 - Reaction Operator Em
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
EVODEX.1-Nm161 - Reaction Operator Nm
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
Source Full Reactions
EVODEX.1-R5573
[C:1]([C:2]1:[C:3]([H:26]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:27]):[C:9]([N:10]([C:11](=[O:12])[C@:13]3([H:28])[C:14]([H:29])([H:30])[C:15]([H:31])([H:32])[C:16]([H:33])([H:34])[N:17]3[C:18](=[O:19])[C:20]([N:21]([H:35])[H:36])([H:37])[H:38])[H:39]):[C:22]([H:40]):[C:23]([H:41]):[C:24]:1:2)([H:42])([H:43])[H:44].[H][O:25][H:45]>>[C:18](=[O:19])([C:20]([N:21]([H:35])[H:36])([H:37])[H:38])[O:25][H:45].[H][N:17]1[C@@:13]([C:11]([N:10]([C:9]2:[C:8]([H:27]):[C:7]3:[O:6]:[C:4](=[O:5]):[C:3]([H:26]):[C:2]([C:1]([H:42])([H:43])[H:44]):[C:24]:3:[C:23]([H:41]):[C:22]:2[H:40])[H:39])=[O:12])([H:28])[C:14]([H:29])([H:30])[C:15]([H:31])([H:32])[C:16]1([H:33])[H:34]