1,2-Dichloroethane → 4-(4-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butyric acid amide

HRID 669016

Reaction equation

HRID 669016 reaction equation
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:43][CH:44]1[CH2:45][NH:46][CH:47]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]21.[CH:5]([N:6]([CH2:7][CH3:8])[CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[Cl:60][CH2:61][Cl:62].[O:24]=[C:25]([CH2:26][CH2:27][C:28](=[O:29])[OH:30])[NH:31][CH2:32][c:33]1[cH:34][c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:37][cH:38]1.[OH:14][n:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[n:22][n:23]1>>[O:24]=[C:25]([CH2:26][CH2:27][C:28](=[O:30])[N:46]1[CH2:45][CH:44]([CH3:43])[c:53]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[CH:47]1[c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[NH:31][CH2:32][c:33]1[cH:34][c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:37][cH:38]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 146126774-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolineHCID 433971044-Oxo-4-(3-(trifluoromethyl)benzylamino)butyric acid

Product 1

HCID 468297314-(4-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butyric acid amide

Sources & evidence

ORD record
ord-8d5ae5fce7b74a5ca1c9fda6728fe7b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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