SMIRKS
[H][O:17][C:16](=[O:15])[C:18]([C:19]([C:20](=[O:21])[O:22][H:38])([H:39])[H:40])([H:41])[H:42]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[O:17][C:16](=[O:15])[C:18]([C:19]([C:20](=[O:21])[O:22][H:38])([H:39])[H:40])([H:41])[H:42]
Derived Operators
EVODEX.1-F160 - Elemental Balance
| O | 2 |
| C | 4 |
| N | 1 |
| H | 7 |
EVODEX.1-M68 - Mass Difference
101.04771
EVODEX.1-E825 - Reaction Operator E
[#6:16]-[#8:17]-[H]>>[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[#8:17]-[#6:16])(-[H])-[H]
EVODEX.1-C402 - Reaction Operator C
[H]-[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:17]
EVODEX.1-N483 - Reaction Operator N
[H]-[#8:17]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:17]-[#6:16]
Source Full Reactions
EVODEX.1-R3364
[N:1]([C@@:2]([C:3]([C:4]([S:5][C:6]([C:7]([O:8][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32].[H][O:14][C:13](=[O:12])[C:15]([C:16]([C:17](=[O:18])[O:19][H:34])([H:35])[H:36])([H:37])[H:38]>>[N:1]([C@@:2]([C:3]([C:4]([O:14][C:13](=[O:12])[C:15]([C:16]([C:17](=[O:18])[O:19][H:34])([H:35])[H:36])([H:37])[H:38])([H:25])[H:26])([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])[H:30])([H:31])[H:32].[H][S:5][C:6]([C:7]([O:8][H:20])([H:21])[H:22])([H:23])[H:24]
EVODEX.1-R3363
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:18])[H:19])([C:7](=[O:8])[O:9][H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:12][C:11](=[O:10])[C:13]([C:14]([C:15](=[O:16])[O:17][H:30])([H:31])[H:32])([H:33])[H:34]>>[C:3]([C:4]([C@:5]([N:6]([H:18])[H:19])([C:7](=[O:8])[O:9][H:20])[H:21])([H:22])[H:23])([O:12][C:11](=[O:10])[C:13]([C:14]([C:15](=[O:16])[O:17][H:30])([H:31])[H:32])([H:33])[H:34])([H:24])[H:25].[H][S:2][C:1]([H:26])([H:27])[H:28]
EVODEX.1-R3362
[N:1]([C@@:2]([C:3]([C:4]([S:5][C:6]([C:7]([C:8](=[O:9])[O:10][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:11](=[O:12])[O:13][H:31])[H:32])([H:33])[H:34].[H][O:16][C:15](=[O:14])[C:17]([C:18]([C:19](=[O:20])[O:21][H:36])([H:37])[H:38])([H:39])[H:40]>>[N:1]([C@@:2]([C:3]([C:4]([O:16][C:15](=[O:14])[C:17]([C:18]([C:19](=[O:20])[O:21][H:36])([H:37])[H:38])([H:39])[H:40])([H:27])[H:28])([H:29])[H:30])([C:11](=[O:12])[O:13][H:31])[H:32])([H:33])[H:34].[H][S:5][C:6]([C:7]([C:8](=[O:9])[O:10][H:22])([H:23])[H:24])([H:25])[H:26]
EVODEX.1-R3360
[N:1]([C@@:2]([C:3]([C:4]([S:5][H:17])([H:18])[H:19])([H:20])[H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25].[H][O:11][C:10](=[O:9])[C:12]([C:13]([C:14](=[O:15])[O:16][H:27])([H:28])[H:29])([H:30])[H:31]>>[N:1]([C@@:2]([C:3]([C:4]([O:11][C:10](=[O:9])[C:12]([C:13]([C:14](=[O:15])[O:16][H:27])([H:28])[H:29])([H:30])[H:31])([H:18])[H:19])([H:20])[H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25].[H][S:5][H:17]
EVODEX.1-R3359
[N:1]([C@@:2]([C:3]([C:4]([S:5][C:6]([C@:7]([N:8]([H:23])[H:24])([C:9](=[O:10])[O:11][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([C:12](=[O:13])[O:14][H:33])[H:34])([H:35])[H:36].[H][O:17][C:16](=[O:15])[C:18]([C:19]([C:20](=[O:21])[O:22][H:38])([H:39])[H:40])([H:41])[H:42]>>[N:1]([C@@:2]([C:3]([C:4]([O:17][C:16](=[O:15])[C:18]([C:19]([C:20](=[O:21])[O:22][H:38])([H:39])[H:40])([H:41])[H:42])([H:29])[H:30])([H:31])[H:32])([C:12](=[O:13])[O:14][H:33])[H:34])([H:35])[H:36].[H][S:5][C:6]([C@:7]([N:8]([H:23])[H:24])([C:9](=[O:10])[O:11][H:25])[H:26])([H:27])[H:28]