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

HRID 1539604Notes

Reaction equation

HRID 1539604 reaction equation
[Br:32][c:33]1[cH:34][cH:35][c:36]([S:38](=[O:39])(=[O:40])[N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)[s:37]1.[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.[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:33]4[cH:34][cH:35][c:36]([S:38](=[O:39])(=[O:40])[N:41]5[CH2:42][CH2:43][CH2:44][CH2:45]5)[s:37]4)[cH:15][c:16]23)[CH2:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 8939391-[(5-Bromo-2-thienyl)sulfonyl]pyrrolidineHCID 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 593326763-(2,2-Dimethyl-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-(1-pyrrolidinylsulfonyl)-2-thienyl]-1H-indole-7-carboxamide

Sources & evidence

ORD record
ord-6afc5ddb776f4e6aa90eb9d5673a1eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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