Acetic Acid → {3-[4-Bromo-2-(phenethylamino-methyl)-phenoxy]-phenyl}-acetic acid
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:19]=[O:20])[c:5]([O:6][c:7]2[cH:8][c:9]([CH2:13][C:14](=[O:15])[OH:16])[cH:10][cH:11][cH:12]2)[cH:17][cH:18]1.[C:30]([BH3-:31])#[N:32].[CH3:34][C:35](=[O:36])[OH:37].[Cl:38][CH2:39][Cl:40].[NH2:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[Na+:33]>>[Br:1][c:2]1[cH:3][c:4]([CH2:19][NH:21][CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:5]([O:6][c:7]2[cH:8][c:9]([CH2:13][C:14](=[O:15])[OH:16])[cH:10][cH:11][cH:12]2)[cH:17][cH:18]1Participants
7
Sources & evidence
- ORD record
- ord-e0092145b380451ca7c9d39843cff381
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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