Dimethylformamide → {3-[(4-Chloro-benzyl)-(1-methyl-1H-pyrazole-3-sulfonyl)-amino]-phenoxy}-acetic acid tert-butyl ester

HRID 1540158Notes

Reaction equation

HRID 1540158 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[C:35](=[O:36])([O-:37])[O-:38].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]2[n:21][n:22]([CH3:25])[cH:23][cH:24]2)[c:26]2[cH:27][c:28]([OH:32])[cH:29][cH:30][cH:31]2)[cH:33][cH:34]1.[Cs+:39].[Cs+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH2:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[O:32][c:28]1[cH:27][c:26]([N:16]([CH2:15][c:14]2[cH:13][cH:12][c:11]([Cl:10])[cH:34][cH:33]2)[S:17](=[O:18])(=[O:19])[c:20]2[n:21][n:22]([CH3:25])[cH:23][cH:24]2)[cH:31][cH:30][cH:29]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 79177tert-Butyl bromoacetateHCID 104967Cesium cation2×HCID 672303441-Methyl-1H-pyrazole-3-sulfonic acid (4-chloro-benzyl)-(3-hydroxy-phenyl)-amide

Product 1

HCID 67231689{3-[(4-Chloro-benzyl)-(1-methyl-1H-pyrazole-3-sulfonyl)-amino]-phenoxy}-acetic acid tert-butyl ester

Sources & evidence

ORD record
ord-4030e6d2db4c4da0801a8aa63ccb30bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…