Hydrochloric Acid → 4-[2-(4,4-Dimethyl-chroman-7-yl)-heptyloxy]-benzoic acid
Reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][CH2:11][CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:18]2[cH:19][cH:20][c:21]3[c:26]([cH:27]2)[O:25][CH2:24][CH2:23][C:22]3([CH3:28])[CH3:29])[cH:8][cH:9]1)=[O:30].[CH3:39][CH2:40][OH:41].[ClH:38].[K+:32].[OH-:31].[OH2:42]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][CH2:11][CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:18]2[cH:19][cH:20][c:21]3[c:26]([cH:27]2)[O:25][CH2:24][CH2:23][C:22]3([CH3:28])[CH3:29])[cH:8][cH:9]1)[OH:30]Participants
8
Sources & evidence
- ORD record
- ord-65eb309ccf594e9c92692ed82d11b643
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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