Ethanol → HCID 178423774, compound

HRID 202678Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 81531Diisopropylethylamine

HCID 53592776-Chloropurine

HCID 57707817(8-Methyl-2-(2-(trifluoromethyl)phenyl)quinolin-3-yl)methanamine

Product 1

HCID 178423774HCID 178423774, compound

Sources & evidence

ORD record: ord-480f4a92b4644c17842ce0d1389ebdec
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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