Potassium Cation → 1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(1H-indol-5-ylsulfanyl)phenyl]prop-2-en-1-one

HRID 317904

Reaction equation

HRID 317904 reaction equation
[Cl:11][c:12]1[cH:13][cH:14][cH:15][c:16]([CH:17]=[O:18])[c:19]1[S:20][c:21]1[c:22]([Cl:40])[cH:23][c:24]([CH:27]=[CH:28][C:29](=[O:30])[N:31]2[CH2:32][CH2:33][N:34]([C:37]([CH3:38])=[O:39])[CH2:35][CH2:36]2)[cH:25][cH:26]1.[I-:47].[I:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[cH:9][cH:10]1.[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[c:2]1([S:20][c:21]2[c:22]([Cl:40])[cH:23][c:24]([CH:27]=[CH:28][C:29](=[O:30])[N:31]3[CH2:32][CH2:33][N:34]([C:37]([CH3:38])=[O:39])[CH2:35][CH2:36]3)[cH:25][cH:26]2)[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27823135-Iodo-1H-indoleHCID 538601262-[4-[3-(4-Acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-chlorophenyl]sulfanyl-3-chlorobenzaldehyde

Product 1

HCID 697009911-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(1H-indol-5-ylsulfanyl)phenyl]prop-2-en-1-one

Sources & evidence

ORD record
ord-f4eb81352f0b443fa86d89a53e2904c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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