Hydrochloric Acid → 4-(5-(4-(Pentyloxy)phenyl)-3-isoxazolyl)benzoic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]3)[n:16][o:17]2)[cH:11][cH:12]1.[CH3:32][CH2:33][OH:34].[ClH:31].[Na+:30].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:29]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:27][cH:28]3)[n:16][o:17]2)[cH:11][cH:12]1Participants
7
Sources & evidence
- ORD record
- ord-1eeb5e51da0945f5a90689187f703264
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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