Dichloromethane → N-tert-Butyl-3-((4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl)methyl)benzamide

HRID 134425

Reaction equation

HRID 134425 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[NH:25][C:26]([c:27]1[cH:28][c:29]([CH2:33][N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:30][cH:31][cH:32]1)=[O:40].[CH2:1]([P:2]([OH:3])(=[O:4])[OH:5])[CH2:6][CH3:7].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:48][CH2:49][Cl:50].[Cl:8][c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]1>>[Cl:8][c:9]1[c:10]([C:11](=[O:13])[N:37]2[CH2:36][CH2:35][N:34]([CH2:33][c:29]3[cH:28][c:27]([C:26]([NH:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:40])[cH:32][cH:31][cH:30]3)[CH2:39][CH2:38]2)[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 74482-Chloro-4-nitrobenzoic acidHCID 8471TriethylamineHCID 204484Propylphosphonic acidHCID 66877987N-tert-butyl-3-(piperazin-1-ylmethyl)benzamide

Product 1

HCID 57917601N-tert-Butyl-3-((4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl)methyl)benzamide

Sources & evidence

ORD record
ord-014fcf1c75c94527b886649475eb7adf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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