Hydrochloric Acid → 3-{4-[1-(4-Bromo-3-[1,3]dioxan-2-yl-phenoxy)-3-methyl-butyl]-benzoylamino}-propionic acid methyl ester
Reaction equation
[Br:1][c:2]1[c:3]([CH:23]2[O:24][CH2:25][CH2:26][CH2:27][O:28]2)[cH:4][c:5]([O:6][CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:21][cH:22]1.[CH2:29]([N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[CH3:35].[CH2:55]([Cl:56])[Cl:57].[CH3:37][O:38][C:39]([CH2:40][CH2:41][NH2:42])=[O:43].[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[ClH:36]>>[Br:1][c:2]1[c:3]([CH:23]2[O:24][CH2:25][CH2:26][CH2:27][O:28]2)[cH:4][c:5]([O:6][CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:42][CH2:41][CH2:40][C:39]([O:38][CH3:37])=[O:43])[cH:19][cH:20]2)[cH:21][cH:22]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-2c2398bd87b6430e9ba771640ca83c07
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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