1-Butanol → HCID 66589227, compound

HRID 289649Notes

Reaction equation

HRID 289649 reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:1][c:2]1[n:3][c:4]([CH3:20])[c:5]([N+:17](=[O:18])[O-:19])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1.[NH2:30][CH:31]([CH2:32][OH:33])[c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1>>[c:2]1([NH:30][CH:31]([CH2:32][OH:33])[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[n:3][c:4]([CH3:20])[c:5]([N+:17](=[O:18])[O-:19])[c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 148532012-Amino-2-(4-fluorophenyl)ethanolHCID 866217652-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-5-nitropyrimidin-4-amine

Product 1

HCID 66589227HCID 66589227, compound

Sources & evidence

ORD record
ord-3374e8867bf24ce08bcaee7c218274c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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