Isopropanol → 5-Chloro-3-nitro-4-(4-(1-phenylethyl)piperazin-1-yl)pyridin-2-amine

HRID 1547806Notes

Reaction equation

HRID 1547806 reaction equation
[CH:53]([OH:54])([CH3:55])[CH3:56].[NH2:1][c:2]1[c:3]([N+:4]([O-:5])=[O:6])[c:7]([N:8]2[CH2:9][CH2:10][N:11]([CH2:12][C:13]([NH:14][c:15]3[s:16][cH:17][cH:18][n:19]3)=[O:20])[CH2:21][CH2:22]2)[c:23]([Cl:24])[cH:25][n:26]1.[NH2:27][c:28]1[n:29][cH:30][c:31]([Cl:38])[c:32]([Cl:37])[c:33]1[N+:34](=[O:35])[O-:36].[c:39]1([CH:45]([CH3:46])[N:47]2[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[NH2:27][c:28]1[n:29][cH:30][c:31]([Cl:38])[c:32]([N:50]2[CH2:49][CH2:48][N:47]([CH:45]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH3:46])[CH2:52][CH2:51]2)[c:33]1[N+:34](=[O:35])[O-:36]

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 27371341-(1-Phenylethyl)piperazineHCID 468676602-Amino-4,5-dichloro-3-nitropyridineHCID 468678042-(4-(2-amino-5-chloro-3-nitropyridin-4-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide

Product 1

HCID 468683505-Chloro-3-nitro-4-(4-(1-phenylethyl)piperazin-1-yl)pyridin-2-amine

Sources & evidence

ORD record
ord-becb0285bb7849979311dc1a92469f67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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