Dimethylformamide → {5-[4-(2-Methoxy-ethyl)-2-(4-trifluoromethyl-phenyl)-pyrimidin-5-ylmethoxy]-indol-1-yl}-acetic acid ethyl ester

HRID 96407Notes

Reaction equation

HRID 96407 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:23]([CH3:24])[O:25][C:26]([CH2:27][n:28]1[cH:29][cH:30][c:31]2[cH:32][c:33]([OH:37])[cH:34][cH:35][c:36]12)=[O:38].[Cl:1][CH2:2][c:3]1[c:4]([CH2:19][CH2:20][O:21][CH3:22])[n:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[n:7][cH:8]1.[Cs+:43].[Cs+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH2:2]([c:3]1[c:4]([CH2:19][CH2:20][O:21][CH3:22])[n:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[n:7][cH:8]1)[O:37][c:33]1[cH:32][c:31]2[cH:30][cH:29][n:28]([CH2:27][C:26]([O:25][CH2:23][CH3:24])=[O:38])[c:36]2[cH:35][cH:34]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 219356255-Chloromethyl-4-(2-methoxy-ethyl)-2-(4-trifluoromethyl-phenyl)-pyrimidineHCID 57675474(5-Hydroxy-indol-1-yl)-acetic acid ethyl ester

Product 1

HCID 69641981{5-[4-(2-Methoxy-ethyl)-2-(4-trifluoromethyl-phenyl)-pyrimidin-5-ylmethoxy]-indol-1-yl}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-54b4509172914a58a8569e9f1cca6a28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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