SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])=[O:13])C([H])([H])C([H])([H])SC([H])([H])[H].[H][O:23][H:57]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:23][H:57])([H:34])[H:35])([H:36])[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])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56]
Derived Operators
EVODEX.1-F379 - Elemental Balance
| O | -2 |
| C | -5 |
| S | -1 |
| N | -1 |
| H | -11 |
EVODEX.1-M154 - Mass Difference
-149.05113
EVODEX.1-E1172 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@@](-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:14](-[H:30])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:14]-[H:30]
EVODEX.1-C547 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H].[H]-[#8:14]>>[#6:7]-[#8:14]
EVODEX.1-N699 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H].[H]-[#8:14]-[H:27]>>[#6:7](=[#8:8])(-[#6:9])-[#8:14]-[H:27]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6258
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([S:18][C:19]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:20](=[O:21])[O:22][H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[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])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][O:23][H:57]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:23][H:57])([H:34])[H:35])([H:36])[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])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][N:14]([C@@:15]([C:16]([C:17]([S:18][C:19]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:20](=[O:21])[O:22][H:31])[H:32])[H:33]