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Chloride → 1-(2-Aminoquinolin-5-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol

HRID 1241042
Notes
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Reaction equation

HRID 1241042 reaction equation
[C:1](=[O:2])([CH3:3])[NH:4][c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][c:11]([NH:15][CH2:16][C:17]([CH2:18][C:19]([CH3:20])([CH3:21])[c:22]3[c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]([F:28])[cH:27]3)([OH:31])[C:32]([F:33])([F:34])[F:35])[c:12]2[cH:13][cH:14]1.[Cl-:38].[Na+:37].[Na+:39].[OH-:36]>>[NH2:4][c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][c:11]([NH:15][CH2:16][C:17]([CH2:18][C:19]([CH3:20])([CH3:21])[c:22]3[c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]([F:28])[cH:27]3)([OH:31])[C:32]([F:33])([F:34])[F:35])[c:12]2[cH:13][cH:14]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 312ChlorideHCID 923Sodium Ion2×HCID 961HydroxideHCID 219488711-(2-Acetylaminoquinolin-5-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol

Product 1

HCID 219488431-(2-Aminoquinolin-5-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol

Sources & evidence

ORD record
ord-6c242996a3fd4a7185a78d09111dabc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes