Acetonitrile → 3-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid methyl ester

HRID 2346080Notes

Reaction equation

HRID 2346080 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:18][O:19][C:20]([CH2:21][CH2:22][c:23]1[c:24]([CH3:30])[cH:25][c:26]([OH:29])[cH:27][cH:28]1)=[O:31].[CH3:38][C:39]#[N:40].[Cl:1][CH2:2][c:3]1[s:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[cH:6][cH:7]1.[Cs+:36].[Cs+:37]>>[CH2:2]([c:3]1[s:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[cH:6][cH:7]1)[O:29][c:26]1[cH:25][c:24]([CH3:30])[c:23]([CH2:22][CH2:21][C:20]([O:19][CH3:18])=[O:31])[cH:28][cH:27]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 13551833Methyl 3-(4-Hydroxy-2-methylphenyl)propanoateHCID 575949792-(Chloromethyl)-5-(4-(trifluoromethyl)phenyl)thiophene

Product 1

HCID 688530103-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid methyl ester

Sources & evidence

ORD record
ord-1f8d95c7fbf74599b82c4ffab1ed0e78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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