Potassium Cation → 5-[5-(cyclopentylsulfonyl)-2-thienyl]-3-(2,2-dimethyl-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

HRID 215514Notes

Reaction equation

HRID 215514 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:1][C:2]1([CH3:31])[S:3](=[O:29])(=[O:30])[CH2:4][CH2:5][CH:6]([c:8]2[cH:9][nH:10][c:11]3[c:12]([C:26](=[O:27])[NH2:28])[cH:13][c:14]([B:17]4[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]4)[cH:15][c:16]23)[CH2:7]1.[CH:32]1([S:37](=[O:38])(=[O:39])[c:40]2[s:41][c:42]([Br:45])[cH:43][cH:44]2)[CH2:33][CH2:34][CH2:35][CH2:36]1.[K+:50].[K+:51].[OH2:58]>>[CH3:1][C:2]1([CH3:31])[S:3](=[O:29])(=[O:30])[CH2:4][CH2:5][CH:6]([c:8]2[cH:9][nH:10][c:11]3[c:12]([C:26](=[O:27])[NH2:28])[cH:13][c:14](-[c:42]4[s:41][c:40]([S:37]([CH:32]5[CH2:33][CH2:34][CH2:35][CH2:36]5)(=[O:38])=[O:39])[cH:44][cH:43]4)[cH:15][c:16]23)[CH2:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 46469162-Bromo-5-(cyclopentylsulfonyl)thiopheneHCID 593327993-(2,2-Dimethyl-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide

Product 1

HCID 593325765-[5-(cyclopentylsulfonyl)-2-thienyl]-3-(2,2-dimethyl-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

Sources & evidence

ORD record
ord-5b7016028b05410eb3e0483471dd6fcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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