1,2-Dichloroethane → Tert-butyl 3-(isoquinolin-6-ylamino)-3-oxo-1-(thiophen-3-yl)propylcarbamate

HRID 189518

Reaction equation

HRID 189518 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[OH:13])[c:14]1[cH:15][s:16][cH:17][cH:18]1.[CH2:19]([Cl:20])[CH2:21][Cl:22].[CH3:40][N:41]([c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1)[CH3:48].[NH2:23][c:24]1[cH:25][c:26]2[cH:27][cH:28][n:29][cH:30][c:31]2[cH:32][cH:33]1.[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:13])[NH:23][c:24]1[cH:25][c:26]2[cH:27][cH:28][n:29][cH:30][c:31]2[cH:32][cH:33]1)[c:14]1[cH:15][s:16][cH:17][cH:18]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 1049PyridineHCID 142844-(Dimethylamino)pyridineHCID 5889916-AminoisoquinolineHCID 27645363-((tert-Butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoic acid

Product 1

HCID 59161737Tert-butyl 3-(isoquinolin-6-ylamino)-3-oxo-1-(thiophen-3-yl)propylcarbamate

Sources & evidence

ORD record
ord-b364e7fefae242cf9ee41df9b2b94056
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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