Methanol → Trifluoroacetic acid

HRID 92643Notes

Reaction equation

HRID 92643 reaction equation
[CH3:3][O:4][c:5]1[c:6]([CH2:14][N:15]([CH3:16])[CH3:17])[c:7]2[cH:8][cH:9][nH:10][c:11]2[cH:12][cH:13]1.[CH3:42][OH:43].[Cl:18][c:19]1[c:20]([S:26](=[O:27])(=[O:28])[Cl:29])[cH:21][cH:22][cH:23][c:24]1[Cl:25].[F:30][C:31]([C:32](=[O:33])[OH:34])([F:35])[F:36].[H-:2].[Na+:1].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH3:3][O:4][c:5]1[c:6]([CH2:14][N:15]([CH3:16])[CH3:17])[c:7]2[cH:8][cH:9][n:10]([S:26]([c:20]3[c:19]([Cl:18])[c:24]([Cl:25])[cH:23][cH:22][cH:21]3)(=[O:27])=[O:28])[c:11]2[cH:12][cH:13]1.[F:30][C:31]([C:32](=[O:33])[OH:34])([F:35])[F:36]

Participants

9

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 166653HydrideHCID 27342222,3-Dichlorobenzene-1-sulfonyl chlorideHCID 68715707(5-Methoxy-1H-indol-4-ylmethyl)-dimethyl-amine

Product 2

HCID 6422Trifluoroacetic acidHCID 595135901-[1-(2,3-dichlorophenyl)sulfonyl-5-methoxyindol-4-yl]-N,N-dimethylmethanamine

Sources & evidence

ORD record
ord-ca64011807f5413384580c3c4663367e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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