Potassium Cation → 8-fluoro-1,2,3,4-tetrahydro-[1]benzothieno[2,3-b][1,5]benzothiazepin-12(11H)-one

HRID 1118093Notes

Reaction equation

HRID 1118093 reaction equation
[Br:1][c:2]1[c:3]([C:11](=[O:12])[NH:13][c:14]2[c:15]([SH:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[c:4]2[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2.[C:22](=[O:23])([O-:24])[O-:25].[K+:26].[K+:27]>>[c:2]12[c:3]([c:4]3[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]3)[C:11](=[O:12])[NH:13][c:14]1[c:15]([cH:16][c:17]([F:20])[cH:18][cH:19]1)[S:21]2

Participants

4

Reactant 3

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 184221782-bromo-4,5,6,7-tetrahydro-N-(4-fluoro-2-mercaptophenyl)-benzo[b]thiophene-3-carboxamide

Product 1

HCID 184222658-fluoro-1,2,3,4-tetrahydro-[1]benzothieno[2,3-b][1,5]benzothiazepin-12(11H)-one

Sources & evidence

ORD record
ord-c7b3403fed1a426699e05b1243a5c0ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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