SMIRKS
[H][S:5][C:4]([C:3]([C@:2]([N:1]([H:23])[H:24])([C:6](=[O:7])[O:8][H:21])[H:22])([H:19])[H:20])([H:17])[H:18]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:5][C:4]([C:3]([C@:2]([N:1]([H:23])[H:24])([C:6](=[O:7])[O:8][H:21])[H:22])([H:19])[H:20])([H:17])[H:18]
Derived Operators
EVODEX.1-F270 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M141 - Mass Difference
87.03205000000001
EVODEX.1-E1017 - Reaction Operator E
[#6:12]-[#16:13]-[H]>>[#7](-[#6@@](-[#6](-[#16:13]-[#6:12])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C403 - Reaction Operator C
[H]-[#16:13]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#16:13]
EVODEX.1-N484 - Reaction Operator N
[H]-[#16:13]-[#6:12]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#16:13]-[#6:12]
Source Full Reactions
EVODEX.1-R3354
[H][S:5][C:4]([C:3]([C@:2]([N:1]([H:23])[H:24])([C:6](=[O:7])[O:8][H:21])[H:22])([H:19])[H:20])([H:17])[H:18].[N:9]([C@@:10]([C:11]([S:12][H:25])([H:26])[H:27])([C:13](=[O:14])[O:15][H:28])[H:29])([H:30])[H:31]>>[N:1]([C@@:2]([C:3]([C:4]([S:5][C:11]([C@:10]([N:9]([H:30])[H:31])([C:13](=[O:14])[O:15][H:28])[H:29])([H:26])[H:27])([H:17])[H:18])([H:19])[H:20])([C:6](=[O:7])[O:8][H:21])[H:22])([H:23])[H:24].[H][S:12][H:25]
EVODEX.1-R3361
[H][S:5][C:4]([C:3]([C@:2]([N:1]([H:30])[H:31])([C:6](=[O:7])[O:8][H:28])[H:29])([H:26])[H:27])([H:24])[H:25].[N:9]([C@@:10]([C:11]([O:12][C:13](=[O:14])[C:15]([C:16]([C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([C:20](=[O:21])[O:22][H:39])[H:40])([H:41])[H:42]>>[N:1]([C@@:2]([C:3]([C:4]([S:5][C:11]([C@:10]([N:9]([H:41])[H:42])([C:20](=[O:21])[O:22][H:39])[H:40])([H:37])[H:38])([H:24])[H:25])([H:26])[H:27])([C:6](=[O:7])[O:8][H:28])[H:29])([H:30])[H:31].[H][O:12][C:13](=[O:14])[C:15]([C:16]([C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36]
EVODEX.1-R3358
[C:1]([C:2](=[O:3])[O:4][C:5]([C@:6]([N:7]([H:19])[H:20])([C:8](=[O:9])[O:10][H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][S:15][C:14]([C:13]([C@:12]([N:11]([H:35])[H:36])([C:16](=[O:17])[O:18][H:33])[H:34])([H:31])[H:32])([H:29])[H:30]>>[C:5]([C@:6]([N:7]([H:19])[H:20])([C:8](=[O:9])[O:10][H:21])[H:22])([S:15][C:14]([C:13]([C@:12]([N:11]([H:35])[H:36])([C:16](=[O:17])[O:18][H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:23])[H:24].[H][O:4][C:2]([C:1]([H:25])([H:26])[H:27])=[O:3]
EVODEX.1-R3355
[H][S:5][C:4]([C:3]([C@:2]([N:1]([H:23])[H:24])([C:6](=[O:7])[O:8][H:21])[H:22])([H:19])[H:20])([H:17])[H:18].[N:9]([C@@:10]([C:11]([O:12][H:25])([H:26])[H:27])([C:13](=[O:14])[O:15][H:28])[H:29])([H:30])[H:31]>>[N:1]([C@@:2]([C:3]([C:4]([S:5][C:11]([C@:10]([N:9]([H:30])[H:31])([C:13](=[O:14])[O:15][H:28])[H:29])([H:26])[H:27])([H:17])[H:18])([H:19])[H:20])([C:6](=[O:7])[O:8][H:21])[H:22])([H:23])[H:24].[H][O:12][H:25]