Ammonium → 2-(1-benzyl-3-fluoro-2-methyl-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

HRID 2350129

Reaction equation

HRID 2350129 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:27])[cH:10][c:11]2[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[OH:26])[cH:14][cH:15][c:16]12.[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl-:43].[Cl:50][CH:51]([Cl:52])[CH3:53].[F:36][n+:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[NH4+:44].[S:28]([O-:29])([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:27])[c:10]([F:32])[c:11]2[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[OH:26])[cH:14][cH:15][c:16]12

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 3283Diethyl EtherHCID 63651,1-DichloroethaneHCID 2724577Pyridinium, 1-fluoro-HCID 2758875TrifluoromethanesulfonateHCID 115239032-(1-benzyl-2-methyl-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

Product 1

HCID 116183442-(1-benzyl-3-fluoro-2-methyl-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

Sources & evidence

ORD record
ord-6f937b87d24842adbe5a5e21bce22dc7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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