Dichloromethane → 3-(4-{[4-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbonyl]-amino}-2-methyl-phenyl)-propionic acid methyl ester

HRID 89147Notes

Reaction equation

HRID 89147 reaction equation
[CH3:22][O:23][C:24]([CH2:25][CH2:26][c:27]1[c:28]([CH3:34])[cH:29][c:30]([NH2:33])[cH:31][cH:32]1)=[O:35].[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[s:7][c:8]1[C:9](=[O:10])[OH:11].[Cl:56][CH2:57][Cl:58]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[s:7][c:8]1[C:9](=[O:10])[NH:33][c:30]1[cH:29][c:28]([CH3:34])[c:27]([CH2:26][CH2:25][C:24]([O:23][CH3:22])=[O:35])[cH:32][cH:31]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 54187007Methyl 3-(4-amino-2-methylphenyl)propanoateHCID 589340934-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid

Product 1

HCID 694759173-(4-{[4-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbonyl]-amino}-2-methyl-phenyl)-propionic acid methyl ester

Sources & evidence

ORD record
ord-db9755fec0a64aadbb4e7e69dbea4eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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