Hydrogen Bromide → 1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one
Reaction equation
[BrH:38].[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:39][c:40]1[c:41]2[c:46]([c:47]([Cl:52])[c:48]([OH:51])[c:49]1[OH:50])[CH2:45][NH:44][CH2:43][CH2:42]2.[F:13][C:14]([c:15]1[cH:16][cH:17][c:18]([CH:21]=[CH:22][C:23](=[O:24])[OH:25])[cH:19][n:20]1)([F:26])[F:27].[OH2:59].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1>>[F:13][C:14]([c:15]1[cH:16][cH:17][c:18]([CH:21]=[CH:22][C:23](=[O:25])[N:44]2[CH2:43][CH2:42][c:41]3[c:40]([Cl:39])[c:49]([OH:50])[c:48]([OH:51])[c:47]([Cl:52])[c:46]3[CH2:45]2)[cH:19][n:20]1)([F:26])[F:27]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-2d744b8a13f5449c8a359ecdd25aecae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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