1,1,1,3,3,3-Hexafluoro-2-propanol → 3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid methyl ester

HRID 98484

Reaction equation

HRID 98484 reaction equation
[C:1](=[O:2])([O:3][CH3:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:10][cH:11][c:12]2[cH:13]1.[F:18][c:19]1[c:20]([SH:26])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[F:27][C:28]([F:29])([F:30])[CH:31]([OH:32])[C:33]([F:34])([F:35])[F:36]>>[C:1](=[O:2])([O:3][CH3:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:10][cH:11][c:12]2[c:13]1[S:26][c:20]1[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]1

Participants

4

Reactant 3

HCID 135291,1,1,3,3,3-Hexafluoro-2-propanolHCID 27370732,4-Difluorobenzene-1-thiolHCID 7141904methyl 6-(methylsulfonyl)-1H-indole-2-carboxylate

Product 1

HCID 114180743-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-7a8a386645764b0dbf89243cbd6df969
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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