Hexane → 6-[6-methoxy-4-(1-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-2,2,4-trimethylhex-4-enoic acid
Reaction equation
[C:34]([O:35][CH2:36][CH3:37])(=[O:38])[CH3:39].[CH3:1][O:2][CH:3]([CH3:4])[O:5][CH2:6][O:7][c:8]1[c:9]2[c:13]([c:14]([CH3:32])[c:15]([O:30][CH3:31])[c:16]1[CH2:17][CH:18]=[C:19]([CH2:20][C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])([CH3:27])[CH3:28])[CH3:29])[CH2:12][O:11][C:10]2=[O:33].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45]>>[CH3:1][O:2][CH:3]([CH3:4])[O:5][CH2:6][O:7][c:8]1[c:9]2[c:13]([c:14]([CH3:32])[c:15]([O:30][CH3:31])[c:16]1[CH2:17][CH:18]=[C:19]([CH2:20][C:21]([C:22](=[O:23])[OH:24])([CH3:27])[CH3:28])[CH3:29])[CH2:12][O:11][C:10]2=[O:33]Participants
4
Sources & evidence
- ORD record
- ord-4a8998151b1e4abaa90f3c916086d14e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…