Water → Tert-butyl 4-{[(2-chloro-3-nitroquinolin-4-yl)amino]methyl}benzylcarbamate

HRID 2328664

Reaction equation

HRID 2328664 reaction equation
[C:23](=[O:24])([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([CH2:38][NH2:39])[cH:36][cH:37]1.[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([Cl:15])[c:11]1[N+:12](=[O:13])[O-:14].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:39][CH2:38][c:35]2[cH:34][cH:33][c:32]([CH2:31][NH:30][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:37][cH:36]2)[c:11]1[N+:12](=[O:13])[O-:14]

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 27851382,4-Dichloro-3-nitroquinolineHCID 3354775tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate

Product 1

HCID 86633725Tert-butyl 4-{[(2-chloro-3-nitroquinolin-4-yl)amino]methyl}benzylcarbamate

Sources & evidence

ORD record
ord-b0dc426c73484e028175eba11e5f194f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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