Dimethylformamide → 2-(4-Chloro-phenyl)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-imidazole-4-carboxylic acid ethyl ester

HRID 181964Notes

Reaction equation

HRID 181964 reaction equation
[Br:24][CH2:25][c:26]1[n:27][o:28][c:29](-[c:31]2[s:32][c:33]([Cl:36])[cH:34][cH:35]2)[cH:30]1.[C:18](=[O:19])([O-:20])[O-:21].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[n:9][cH:10]1.[Cs+:22].[Cs+:23].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[n:9]([CH2:25][c:26]2[n:27][o:28][c:29](-[c:31]3[s:32][c:33]([Cl:36])[cH:34][cH:35]3)[cH:30]2)[cH:10]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 111501463-Bromomethyl-5-(5-chloro-thiophen-2-yl)-isoxazoleHCID 53440929ethyl 2-(4-chlorophenyl)-1H-imidazole-5-carboxylate

Product 1

HCID 691123712-(4-Chloro-phenyl)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-imidazole-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-4bb9d24ef2f64a2cb88e1fe549af3f06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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