Acetic Acid → 2-(4-chloro-phenyl)-6-[3-fluoro-4-(1-methyl-azetidin-3-yloxy)-phenyl]-6H-thieno[2,3-c]pyridin-7-one

HRID 1209011Notes

Reaction equation

HRID 1209011 reaction equation
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH:10]([O:12][c:13]2[c:14]([F:36])[cH:15][c:16](-[n:19]3[c:20](=[O:35])[c:21]4[c:22]([cH:23][cH:24]3)[cH:25][c:26](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[s:27]4)[cH:17][cH:18]2)[CH2:11]1)([CH3:4])([CH3:5])[CH3:7].[C:46]([OH:47])(=[O:48])[CH3:49].[C:50]([BH3-:51])#[N:52].[CH2:44]=[O:45].[Cl:54][CH2:55][Cl:56].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43].[Na+:53]>>[CH3:6][N:8]1[CH2:9][CH:10]([O:12][c:13]2[c:14]([F:36])[cH:15][c:16](-[n:19]3[c:20](=[O:35])[c:21]4[c:22]([cH:23][cH:24]3)[cH:25][c:26](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[s:27]4)[cH:17][cH:18]2)[CH2:11]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 689499923-{4-[2-(4-Chloro-phenyl)-7-oxo-7H-thieno[2,3-c]pyridin-6-yl]-2-fluoro-phenoxy}-azetidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 248035802-(4-chloro-phenyl)-6-[3-fluoro-4-(1-methyl-azetidin-3-yloxy)-phenyl]-6H-thieno[2,3-c]pyridin-7-one

Sources & evidence

ORD record
ord-75f6396bbcb84a2ea69065a7c27804ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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