Potassium Cation → 5-[5-(1-Azetidinylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-3-thienyl)-1H-indole-7-carboxamide

HRID 209639Notes

Reaction equation

HRID 209639 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][S:16](=[O:19])(=[O:20])[CH2:17][CH2:18]3)[cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][c:31]([CH2:34][N:35]3[CH2:36][CH2:37][CH2:38]3)[s:32][cH:33]2)[O:39]1.[K+:44].[K+:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46]>>[c:2]1(-[c:29]2[cH:30][c:31]([CH2:34][N:35]3[CH2:36][CH2:37][CH2:38]3)[s:32][cH:33]2)[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][S:16](=[O:19])(=[O:20])[CH2:17][CH2:18]3)[cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 593325635-bromo-3-(1,1-dioxidotetrahydro-3-thienyl)-1H-indole-7-carboxamideHCID 593327081-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]methyl}azetidine

Product 1

HCID 250722255-[5-(1-Azetidinylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-3-thienyl)-1H-indole-7-carboxamide

Sources & evidence

ORD record
ord-b88b291ca95b48f49173e56d5f63f6ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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