Hydrochloric Acid → 2-(4-Trifluoromethyl-phenyl)-4-(4-trifluoromethyl-piperidin-1-ylmethyl)-thiazole-5-carboxylic acid ethyl ester

HRID 90403

Reaction equation

HRID 90403 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[c:20]1[c:21]([CH2:35][Br:36])[n:22][c:23](-[c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[s:24]1.[CH3:12][C:13]#[N:14].[ClH:1].[F:2][C:3]([CH:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1)([F:10])[F:11].[K+:41].[K+:42].[OH2:43]>>[F:2][C:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:35][c:21]2[c:20]([C:18]([O:17][CH2:15][CH3:16])=[O:19])[s:24][c:23](-[c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[n:22]2)[CH2:8][CH2:9]1)([F:10])[F:11]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 1364694-(Trifluoromethyl)piperidineHCID 179517684-Bromomethyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic Acid Ethyl Ester

Product 1

HCID 595563562-(4-Trifluoromethyl-phenyl)-4-(4-trifluoromethyl-piperidin-1-ylmethyl)-thiazole-5-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-4ebc76294446411aa35f9c0efd450386
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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