Dichloromethane → 3-[6-(4-chloro-3-trifluoromethyl-phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-propionic acid tert-butyl ester

HRID 91034

Reaction equation

HRID 91034 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:18][O:19][c:20]3[cH:21][c:22]([C:27]([F:28])([F:29])[F:30])[c:23]([Cl:26])[cH:24][cH:25]3)[cH:14][c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45]([CH:46]=[CH2:47])=[O:48].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:49][CH2:50][Cl:51]>>[N:8]1([CH2:47][CH2:46][C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:48])[CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:18][O:19][c:20]3[cH:21][c:22]([C:27]([F:28])([F:29])[F:30])[c:23]([Cl:26])[cH:24][cH:25]3)[cH:14][c:15]2[CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 15458tert-Butyl acrylateHCID 81531DiisopropylethylamineHCID 691462886-(4-chloro-3-trifluoromethyl-phenoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Product 1

HCID 691740893-[6-(4-chloro-3-trifluoromethyl-phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-propionic acid tert-butyl ester

Sources & evidence

ORD record
ord-aee23708678645cbad6569f7307cd1e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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