Ethanol → 2-[1,3-Benzodioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-methylbutanoic acid
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH:11]([CH3:12])[CH3:13])[N:14]([S:15](=[O:16])(=[O:17])[c:18]1[c:19]([CH3:28])[c:20]([CH3:27])[c:21]([O:25][CH3:26])[cH:22][c:23]1[CH3:24])[CH2:29][c:30]1[cH:31][c:32]2[c:33]([cH:34][cH:35]1)[O:36][CH2:37][O:38]2)=[O:39].[CH2:45]([OH:46])[CH3:47].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[O:8]=[C:9]([CH:10]([CH:11]([CH3:12])[CH3:13])[N:14]([S:15](=[O:16])(=[O:17])[c:18]1[c:19]([CH3:28])[c:20]([CH3:27])[c:21]([O:25][CH3:26])[cH:22][c:23]1[CH3:24])[CH2:29][c:30]1[cH:31][c:32]2[c:33]([cH:34][cH:35]1)[O:36][CH2:37][O:38]2)[OH:39]Participants
4
Sources & evidence
- ORD record
- ord-93eaa0aba24f465cacaa822e4058301b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)