SMIRKS
[H]OC(=O)[C@]([H])(N([H])[C:4](=[O:5])[C@@:6]([C:7]([H:29])([H:30])[H:31])([N:8]([C:9](=[O:10])[C:11]([C:12]([C:13]([S:14][C:15]([C@:16]([N:17]([C:18](=[O:19])[C:20]([N:21]([H:32])[H:33])([H:34])[H:35])[H:36])([C:22](=[O:23])[O:24][H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])C([H])([H])[H]>>[H]O[C:4](=[O:5])[C@@:6]([C:7]([H:29])([H:30])[H:31])([N:8]([C:9](=[O:10])[C:11]([C:12]([C:13]([S:14][C:15]([C@:16]([N:17]([C:18](=[O:19])[C:20]([N:21]([H:32])[H:33])([H:34])[H:35])[H:36])([C:22](=[O:23])[O:24][H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48]
Derived Operators
EVODEX.1-F138 - Elemental Balance
| O | -1 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M45 - Mass Difference
-71.03715000000001
EVODEX.1-E792 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C613 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]
EVODEX.1-N768 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6@:5])=[#8:11])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6@:5])=[#8:11]
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-R5667
[C:1]([C@@:2]([N:3]([C:4](=[O:5])[C@@:6]([C:7]([H:29])([H:30])[H:31])([N:8]([C:9](=[O:10])[C:11]([C:12]([C:13]([S:14][C:15]([C@:16]([N:17]([C:18](=[O:19])[C:20]([N:21]([H:32])[H:33])([H:34])[H:35])[H:36])([C:22](=[O:23])[O:24][H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])[H:49])([C:25](=[O:26])[O:27][H:50])[H:51])([H:52])([H:53])[H:54].[H][O:28][H:55]>>[C:4](=[O:5])([C@@:6]([C:7]([H:29])([H:30])[H:31])([N:8]([C:9](=[O:10])[C:11]([C:12]([C:13]([S:14][C:15]([C@:16]([N:17]([C:18](=[O:19])[C:20]([N:21]([H:32])[H:33])([H:34])[H:35])[H:36])([C:22](=[O:23])[O:24][H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[H:47])[H:48])[O:28][H:55].[H][N:3]([C@:2]([C:1]([H:52])([H:53])[H:54])([C:25](=[O:26])[O:27][H:50])[H:51])[H:49]