Potassium Cation → Methyl 6-[2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-yl]pyridine-2-carboxylate

HRID 179048Notes

Reaction equation

HRID 179048 reaction equation
[Br:30][c:31]1[cH:32][cH:33][cH:34][c:35]([C:37](=[O:38])[O:39][CH3:40])[n:36]1.[CH3:47][C:48]([OH:49])([CH3:50])[CH3:51].[Cl:52][CH2:53][Cl:54].[K+:41].[K+:42].[N:1]1([CH:7]2[CH2:8][N:9]([c:12]3[s:13][c:14]4[c:15]([n:16]3)[cH:17][cH:18][c:19]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:20]4)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[O-:43][C:44]([O-:45])=[O:46]>>[N:1]1([CH:7]2[CH2:8][N:9]([c:12]3[s:13][c:14]4[c:15]([n:16]3)[cH:17][cH:18][c:19](-[c:31]3[cH:32][cH:33][cH:34][c:35]([C:37](=[O:38])[O:39][CH3:40])[n:36]3)[cH:20]4)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 6386tert-ButanolHCID 19660Carbonate IonHCID 16217886Methyl 6-bromopyridine-2-carboxylateHCID 669055922-(3-Piperidin-1-ylpyrrolidin-1-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole

Product 1

HCID 66905808Methyl 6-[2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-yl]pyridine-2-carboxylate

Sources & evidence

ORD record
ord-cbf513395ef349b6a5d1436c47d8bbaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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