1-Butanol → [4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][4-(2-hydroxyethyl)amino-3-nitrophenyl]methanone

HRID 121508Notes

Reaction equation

HRID 121508 reaction equation
[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[NH2:1][c:2]1[n:3][c:4]([NH:19][c:20]2[cH:21][cH:22][c:23]([N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:24][cH:25]2)[s:5][c:6]1[C:7](=[O:8])[c:9]1[cH:10][c:11]([N+:16](=[O:17])[O-:18])[c:12]([Cl:15])[cH:13][cH:14]1.[NH2:33][CH2:34][CH2:35][OH:36]>>[NH2:1][c:2]1[n:3][c:4]([NH:19][c:20]2[cH:21][cH:22][c:23]([N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:24][cH:25]2)[s:5][c:6]1[C:7](=[O:8])[c:9]1[cH:10][c:11]([N+:16](=[O:17])[O-:18])[c:12]([NH:33][CH2:34][CH2:35][OH:36])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 700EthanolamineHCID 81531DiisopropylethylamineHCID 10162409[4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl](4-chloro-3-nitrophenyl)methanone

Product 1

HCID 21958939[4-Amino-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-thiazolyl][4-(2-hydroxyethyl)amino-3-nitrophenyl]methanone

Sources & evidence

ORD record
ord-58368681872945a495e7fbabaa4c432c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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