Ethanol → Hydrochloric Acid

HRID 2149990Notes

Reaction equation

HRID 2149990 reaction equation
[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][c:11]12.[NH2:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][CH:26]([CH:29]([OH:30])[c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)[CH2:27][CH2:28]2)[cH:38][cH:39]1>>[ClH:1].[c:2]1([NH:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][CH:26]([CH:29]([OH:30])[c:31]4[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]4)[CH2:27][CH2:28]3)[cH:38][cH:39]2)[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][c:11]12

Participants

5

Reactant 3

HCID 702EthanolHCID 676684-Chloro-7-(trifluoromethyl)quinolineHCID 138250431-(4-Aminobenzoyl)-4-[(4-fluorophenyl)hydroxymethyl]piperidine

Product 2

HCID 313Hydrochloric AcidHCID 13825070[4-[(4-Fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

Sources & evidence

ORD record
ord-9d55456bc9b64148b5cdc3ebac623366
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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