Diisopropylethylamine → 4-(2-amino-7-chloroquinolin-4-yl)-N-(5-oxo-1,4-thiazepan-6-yl)piperazine-1-carboxamide

HRID 202502Notes

Reaction equation

HRID 202502 reaction equation
[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:10][C:11](=[O:12])[O:13][c:14]1[cH:15][cH:16][c:17]([N+:18]([O-:19])=[O:20])[cH:21][cH:22]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]2[c:37]([N:44]3[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]3)[cH:38][c:39]([NH2:43])[n:40][c:41]2[cH:42]1.[NH2:1][CH:2]1[C:3](=[O:9])[NH:4][CH2:5][CH2:6][S:7][CH2:8]1>>[NH:1]([CH:2]1[C:3](=[O:9])[NH:4][CH2:5][CH2:6][S:7][CH2:8]1)[C:11](=[O:12])[N:47]1[CH2:46][CH2:45][N:44]([c:37]2[c:36]3[cH:35][cH:34][c:33]([Cl:32])[cH:42][c:41]3[n:40][c:39]([NH2:43])[cH:38]2)[CH2:49][CH2:48]1

Participants

5

Reactant 4

HCID 81531DiisopropylethylamineHCID 821294-Nitrophenyl chloroformateHCID 211017487-Chloro-4-(1-piperazinyl)-2-quinolinamineHCID 222431326-Amino-1,4-thiazepan-5-one

Product 1

HCID 211015654-(2-amino-7-chloroquinolin-4-yl)-N-(5-oxo-1,4-thiazepan-6-yl)piperazine-1-carboxamide

Sources & evidence

ORD record
ord-f0b4b70d157e4732b8a8b4b4e4388c96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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