Hydrochloric Acid → 4-[3-(3-Acetoxy-4-acetyl-2-propylphenoxy)propoxy]-3-bromobenzoic acid
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH2:35][CH2:36][CH3:37])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14]([Br:28])[cH:15][c:16]([C:17](=[O:18])[O:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24][O:25]3)[cH:26][cH:27]2)[cH:29][cH:30][c:31]1[C:32]([CH3:33])=[O:34].[CH:39]([Cl:40])([Cl:41])[Cl:42].[ClH:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH2:35][CH2:36][CH3:37])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14]([Br:28])[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:26][cH:27]2)[cH:29][cH:30][c:31]1[C:32]([CH3:33])=[O:34]Participants
5
Sources & evidence
- ORD record
- ord-0cc4a06f38264c149cf5b586350e37fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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