Hydrochloric Acid → Methyl 2-[3-[N-[[2-(4-chlorophenyl)-4-methylthiazol-5-yl]methyl]carbamoyl]piperidin-1-yl]benzoate

HRID 194365Notes

Reaction equation

HRID 194365 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:43][S:44]([CH3:45])=[O:46].[Cl:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[s:10][c:11]([CH2:15][NH:16][C:17](=[O:18])[CH:19]3[CH2:20][NH:21][CH2:22][CH2:23][CH2:24]3)[c:12]([CH3:14])[n:13]2)[cH:7][cH:8]1.[ClH:1].[F:25][c:26]1[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]1.[K+:40].[K+:41].[OH2:42]>>[Cl:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[s:10][c:11]([CH2:15][NH:16][C:17](=[O:18])[CH:19]3[CH2:20][N:21]([c:26]4[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]4)[CH2:22][CH2:23][CH2:24]3)[c:12]([CH3:14])[n:13]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 67854Benzoic acid, 2-fluoro-, methyl esterHCID 57572172N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide

Product 1

HCID 58992625Methyl 2-[3-[N-[[2-(4-chlorophenyl)-4-methylthiazol-5-yl]methyl]carbamoyl]piperidin-1-yl]benzoate

Sources & evidence

ORD record
ord-7c56b11cc40643ec9b744b603170a720
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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