SMIRKS
[H]N([H])[C@@:4]([H])([C:2]([C:1]([H:26])([H:27])[H:28])([C:3]([H:18])([H:19])[H:20])[H:25])[C:6](=[O:7])[O:8][H:23].[H]OC(=O)C(C([H])([H])C([H])([H])SC([H])([H])[H])=[O:14]>>[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4]([C:6](=[O:7])[O:8][H:23])=[O:14])[H:25])([H:26])([H:27])[H:28]
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-E1173 - Reaction Operator E
[#6](-[#16]-[#6](-[#6](-[#6](=[#8:6])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@@:11](-[#6:12])(-[#6:21]=[#8:22])-[H])(-[H])-[H]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-C428 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:11]-[H]>>[#8:6]=[#6:11]
EVODEX.1-N518 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:11](-[H])(-[#6:12])-[#6:21]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3697
[H][C@@:4]([C:2]([C:1]([H:26])([H:27])[H:28])([C:3]([H:18])([H:19])[H:20])[H:25])([N:5]([H:21])[H:22])[C:6](=[O:7])[O:8][H:23].[C:9]([S:10][C:11]([C:12]([C:13](=[O:14])[C:15](=[O:16])[O:17][H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36]>>[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4]([C:6](=[O:7])[O:8][H:23])=[O:14])[H:25])([H:26])([H:27])[H:28].[H][C@:13]([N:5]([H:21])[H:22])([C:12]([C:11]([S:10][C:9]([H:34])([H:35])[H:36])([H:32])[H:33])([H:30])[H:31])[C:15](=[O:16])[O:17][H:29]