Bicarbonate Ion → tert-butyl 2-(6-amino-5-(1-(2,3-difluorophenyl)-1H-tetrazol-5-yl)pyridin-3-yl)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

HRID 181072Notes

Reaction equation

HRID 181072 reaction equation
[Br:30][c:31]1[cH:32][c:33]2[c:34]([s:46]1)[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]2.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:1][c:2]1[c:3](-[n:9]2[n:10][n:11][n:12][c:13]2-[c:14]2[c:15]([NH2:29])[n:16][cH:17][c:18]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:19]2)[cH:4][cH:5][cH:6][c:7]1[F:8].[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][n:11][n:12][c:13]2-[c:14]2[c:15]([NH2:29])[n:16][cH:17][c:18](-[c:31]3[cH:32][c:33]4[c:34]([s:46]3)[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]4)[cH:19]2)[cH:4][cH:5][cH:6][c:7]1[F:8]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 17389889tert-butyl 2-bromo-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylateHCID 581794573-(1-(2,3-difluorophenyl)-1H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Product 1

HCID 58180103tert-butyl 2-(6-amino-5-(1-(2,3-difluorophenyl)-1H-tetrazol-5-yl)pyridin-3-yl)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate

Sources & evidence

ORD record
ord-a54643a32b4048b0a8bcbd6eb838c271
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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