Carbon Dioxide → 1-{4-[4-(2-Chloro-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl}-ethanone

HRID 1202180Notes

Reaction equation

HRID 1202180 reaction equation
[C:15]([n:16]1[cH:17][cH:18][n:19][cH:20]1)([n:21]1[cH:22][cH:23][n:24][cH:25]1)=[O:26].[C:27](=[O:28])=[O:29].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1.[F:30][c:31]1[cH:32][c:33]([C:43]([CH3:44])=[O:45])[cH:34][cH:35][c:36]1[N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[N:40]2[CH2:39][CH2:38][N:37]([c:36]3[c:31]([F:30])[cH:32][c:33]([C:43]([CH3:44])=[O:45])[cH:34][cH:35]3)[CH2:42][CH2:41]2)[cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 280Carbon DioxideHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 6856101-(3-Fluoro-4-piperazin-1-ylphenyl)ethanoneHCID 23291322-Chloro-5-(methylsulphonyl)benzoic acid

Product 1

HCID 597937161-{4-[4-(2-Chloro-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl}-ethanone

Sources & evidence

ORD record
ord-66e1ffed541e41b19b8fe2f60e76b33e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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