Toluene → S-1-(4-Fluorophenyl)-1H-indazol-5-yl benzothioate

HRID 687763Notes

Reaction equation

HRID 687763 reaction equation
[C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)(=[S:25])[OH:26].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH:27]([NH:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cu+:48].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([I:17])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[I+:47]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([S:25][C:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[O:26])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 7912DiisopropylamineHCID 8857Ethyl AcetateHCID 104815Copper(1+)HCID 5460719Iodine(1+)HCID 592511281-(4-fluorophenyl)-5-iodo-1H-indazoleHCID 178526132HCID 178526132, compound

Product 1

HCID 59339848S-1-(4-Fluorophenyl)-1H-indazol-5-yl benzothioate

Sources & evidence

ORD record
ord-8acef76f768544b1a58368ef74b85f5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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