SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:16]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:48])[H:49])([C:23](=[O:24])[O:25][H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[O:6])[H:41])([C:9]([S:10][C:11]([C:12]([O:13][H:27])([C:14]([O:15][H:28])([H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:40])=[O:17]>>[H]O[C:16]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:48])[H:49])([C:23](=[O:24])[O:25][H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[O:6])[H:41])([C:9]([S:10][C:11]([C:12]([O:13][H:27])([C:14]([O:15][H:28])([H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:40])=[O:17]
Derived Operators
EVODEX.1-F262 - Elemental Balance
| O | -1 |
| C | -2 |
| N | -1 |
| H | -3 |
EVODEX.1-M86 - Mass Difference
-57.02149000000001
EVODEX.1-E994 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C518 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5]>>[H]-[#8]-[#6:5]
EVODEX.1-N656 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5007
[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C@@:8]([C:9]([S:10][C:11]([C:12]([O:13][H:27])([C:14]([O:15][H:28])([H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:16](=[O:17])[N:18]([C:19]([C:20](=[O:21])[O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([C:23](=[O:24])[O:25][H:46])[H:47])([H:48])[H:49].[H][O:26][H:50]>>[H][N:18]([C:19]([C:20](=[O:21])[O:22][H:36])([H:37])[H:38])[H:39].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C@@:8]([C:9]([S:10][C:11]([C:12]([O:13][H:27])([C:14]([O:15][H:28])([H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:16](=[O:17])[O:26][H:50])[H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([C:23](=[O:24])[O:25][H:46])[H:47])([H:48])[H:49]