Acetonitrile → N-(1-(3,5-dichlorophenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzeneamine

HRID 1133367Notes

Reaction equation

HRID 1133367 reaction equation
[CH3:45][C:46]#[N:47].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH3:10])[NH:11][c:12]2[c:13]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[cH:5][c:6]([Cl:8])[cH:7]1.[N:23]1([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH3:10])[NH:11][c:12]2[c:13]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:14][cH:15][c:16]([N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:17]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 58707315N-(1-(3,5-Dichlorophenyl)ethyl)-5-fluoro-2-(methylsulfonyl)benzenamine

Product 1

HCID 58707288N-(1-(3,5-dichlorophenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)benzeneamine

Sources & evidence

ORD record
ord-aeac396b4f5f444d90ab3809aef63afe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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