1,2-Dichloroethane → 3-(4-fluorophenyl)-N-[2-(2-hydroxy-ethyl)-5,6,7,8-tetrahydro-quinazolin-5-yl]-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

HRID 110381Notes

Reaction equation

HRID 110381 reaction equation
[CH2:51]([Cl:52])[CH2:53][Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:11])[OH:12])[NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[NH2:27][CH:28]1[c:29]2[cH:30][n:31][c:32]([CH2:38][CH2:39][OH:40])[n:33][c:34]2[CH2:35][CH2:36][CH2:37]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:12])[NH:27][CH:28]2[c:29]3[cH:30][n:31][c:32]([CH2:38][CH2:39][OH:40])[n:33][c:34]3[CH2:35][CH2:36][CH2:37]2)[NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 454662383-(4-Fluorophenyl)-3-(3-trifluoromethyl-benzenesulfonylamino)-propionic acidHCID 588413542-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)ethanol

Product 1

HCID 689308143-(4-fluorophenyl)-N-[2-(2-hydroxy-ethyl)-5,6,7,8-tetrahydro-quinazolin-5-yl]-3-(3-trifluoromethyl-benzenesulfonylamino)-propionamide

Sources & evidence

ORD record
ord-b48f3b8752f84382ba11576c29784b29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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