Ammonium → 2-[1-[[2-Amino-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol

HRID 696663Notes

Reaction equation

HRID 696663 reaction equation
[CH3:33][N:34]1[CH2:35][CH2:36][CH2:37][C:38]1=[O:39].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([CH2:19][n:20]3[n:21][n:22][c:23]([C:25]([C:26]([F:27])([F:28])[F:29])([CH2:30][CH3:31])[OH:32])[cH:24]3)[cH:7][cH:8][c:9]2[c:10](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:11]1.[NH4+:40].[OH-:41]>>[c:2]1([NH2:34])[n:3][c:4]2[cH:5][c:6]([CH2:19][n:20]3[n:21][n:22][c:23]([C:25]([C:26]([F:27])([F:28])[F:29])([CH2:30][CH3:31])[OH:32])[cH:24]3)[cH:7][cH:8][c:9]2[c:10](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:11]1

Participants

5

Reactant 4

HCID 223AmmoniumHCID 961HydroxideHCID 13387N-methyl-2-pyrrolidoneHCID 250553122-(1-{[2-chloro-4-(4-fluorophenyl)quinolin-7-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,1,1-trifluorobutan-2-ol

Product 1

HCID 250553132-[1-[[2-Amino-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol

Sources & evidence

ORD record
ord-17cd036a3c92405b8cb218ac8bf6c282
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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