Acetic Acid → 1-(4-Chloro-phenyl)-6-fluoro-1H-indol-5-ol

HRID 702028Notes

Reaction equation

HRID 702028 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7](-[c:12]3[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[c:8]2[cH:9][c:10]1[F:11].[C:64]([OH:65])(=[O:66])[CH3:67].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:19][CH2:20][CH2:21][CH2:22][Li:23].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[CH:24]([O:27][B:25]([O:26][CH:28]([CH3:29])[CH3:30])[O:31][CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl-:55].[Na+:56].[Na+:57].[Na+:58].[O-:59][S:60]([O-:61])(=[S:62])=[O:63].[OH2:68].[OH:37][OH:38]>>[c:2]1([OH:27])[cH:3][c:4]2[cH:5][cH:6][n:7](-[c:12]3[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[c:8]2[cH:9][c:10]1[F:11]

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 312ChlorideHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 962WaterHCID 1084Thiosulfate ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8058HexaneHCID 21531Triisopropyl borateHCID 18679532HCID 18679532, compoundHCID 178418339Butyllithium

Product 1

HCID 186794381-(4-Chloro-phenyl)-6-fluoro-1H-indol-5-ol

Sources & evidence

ORD record
ord-d734f5b8514e481c9419b6fdf40d3c8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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