Dimethylformamide → {2-[3-Cyclopentyl-2-(4-fluoro-3-trifluoromethyl-phenyl)-propionylamino]-thiazol-4-yl}-acetic acid ethyl ester

HRID 134178Notes

Reaction equation

HRID 134178 reaction equation
[CH2:28]([CH3:29])[O:30][C:31]([CH2:32][c:33]1[n:34][c:35]([NH2:38])[s:36][cH:37]1)=[O:39].[CH2:49]([Cl:50])[Cl:51].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([C:18]([F:19])([F:20])[F:21])[c:14]([F:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:38][c:35]2[n:34][c:33]([CH2:32][C:31]([O:30][CH2:28][CH3:29])=[O:39])[cH:37][s:36]2)[c:11]2[cH:12][c:13]([C:18]([F:19])([F:20])[F:21])[c:14]([F:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 1044544-Thiazoleacetic acid, 2-amino-, ethyl esterHCID 120695003-Cyclopentyl-2-(4-fluoro-3-trifluoromethyl-phenyl)-propionic acid

Product 1

HCID 23394574{2-[3-Cyclopentyl-2-(4-fluoro-3-trifluoromethyl-phenyl)-propionylamino]-thiazol-4-yl}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-40335c9d34034f8eac5d549945bbe661
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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