1-Butanol → HCID 178458619, compound

HRID 2318029Notes

Reaction equation

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

Participants

Reactant 4

HCID 2631-Butanol

HCID 81531Diisopropylethylamine

HCID 1230631-(4-Fluorophenyl)ethylamine

HCID 1784586112-Chloro-5-fluoro-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile

Product 1

HCID 178458619HCID 178458619, compound

Sources & evidence

ORD record: ord-957b1b6e57864d399a6ab2f0f39488ba
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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