Diisopropylethylamine → N-(1-acetylazepan-3-yl)-4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carboxamide

HRID 317025

Reaction equation

HRID 317025 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH:6]([NH2:11])[CH2:7][CH2:8][CH2:9][CH2:10]1.[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:12][C:13](=[O:14])[O:15][c:16]1[cH:17][cH:18][c:19]([N+:20]([O-:21])=[O:22])[cH:23][cH:24]1.[Cl:34][c:35]1[cH:36][cH:37][c:38]2[c:39]([N:46]3[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]3)[cH:40][c:41]([NH2:45])[n:42][c:43]2[cH:44]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH:6]([NH:11][C:13](=[O:14])[N:49]2[CH2:48][CH2:47][N:46]([c:39]3[c:38]4[cH:37][cH:36][c:35]([Cl:34])[cH:44][c:43]4[n:42][c:41]([NH2:45])[cH:40]3)[CH2:51][CH2:50]2)[CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 81531DiisopropylethylamineHCID 821294-Nitrophenyl chloroformateHCID 211017487-Chloro-4-(1-piperazinyl)-2-quinolinamineHCID 211018301-(3-Aminoazepan-1-yl)ethanone

Product 1

HCID 10388785N-(1-acetylazepan-3-yl)-4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carboxamide

Sources & evidence

ORD record
ord-a42614b8aa394717a19746257fb571e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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