Acetonitrile → 1-(4-Chlorobenzyl)-4-(2,4-dichlorocinnamoyl)piperazine

HRID 2140951Notes

Reaction equation

HRID 2140951 reaction equation
[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:41][C:42]#[N:43].[CH3:44][C:45]([OH:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[c:3]([CH:4]=[CH:5][C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]([Cl:13])[cH:12]1.[Cl:21][C:22]([O:23][CH2:24][CH3:25])=[O:26].[Cl:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:39][cH:40]1>>[Cl:1][c:2]1[c:3]([CH:4]=[CH:5][C:6](=[O:8])[N:36]2[CH2:35][CH2:34][N:33]([CH2:32][c:31]3[cH:30][cH:29][c:28]([Cl:27])[cH:40][cH:39]3)[CH2:38][CH2:37]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6386tert-ButanolHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 145462,4-Dichlorocinnamic acidHCID 1348264-Chlorobenzylpiperazine

Product 1

HCID 536729351-(4-Chlorobenzyl)-4-(2,4-dichlorocinnamoyl)piperazine

Sources & evidence

ORD record
ord-10b0d465e3c243afa4db72baeff82f69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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