SMIRKS
[H][C@@:11]([N:10]([H:35])[H:36])([C:12]([C:13]([C:14](=[O:15])[O:16][H:28])([H:29])[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]>>[H]OC(=O)[C@@]([H])(C([H])([H])C([H])([H])SC([H])([H])[H])[N:10]([H:35])[H:36].O=[C:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:28])([H:29])[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]
Derived Operators
EVODEX.1-F382 - Elemental Balance
| O | 3 |
| C | 5 |
| S | 1 |
| H | 8 |
EVODEX.1-M381 - Mass Difference
148.01944
EVODEX.1-E1177 - Reaction Operator E
[#7:10](-[#6@@:11](-[#6:12])(-[#6:21]=[#8:22])-[H])(-[H:40])-[H:41]>>[#6](-[#16]-[#6](-[#6](-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:10](-[H:40])-[H:41])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-C429 - Reaction Operator C
[H]-[#6@:11]-[#7:10]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#7:10].[#8]=[#6:11]
EVODEX.1-N519 - Reaction Operator N
[H]-[#6@:11](-[#7:10](-[H:40])-[H:41])(-[#6:12])-[#6:21]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#7:10](-[H:40])-[H:41].[#8]=[#6:11](-[#6:12])-[#6:21]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3601
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][C@@:11]([N:10]([H:35])[H:36])([C:12]([C:13]([C:14](=[O:15])[O:16][H:28])([H:29])[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]>>[H][C@@:5]([C:4]([C:3]([S:2][C:1]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([C:7](=[O:8])[O:9][H:20])[N:10]([H:35])[H:36].[O:6]=[C:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:28])([H:29])[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]