Sodium ion → 2-[4-(3-Aminopyrrolidin-1-yl)-7-methylquinazolin-2-yl]-3-fluorophenol

HRID 2129563

Reaction equation

HRID 2129563 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][N:10]([c:13]2[n:14][c:15](-[c:24]3[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]3[OH:30])[n:16][c:17]3[cH:18][c:19]([CH3:23])[cH:20][cH:21][c:22]23)[CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:32].[Cl:42][CH2:43][Cl:44].[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39].[Na+:41].[OH-:40]>>[NH2:7][CH:8]1[CH2:9][N:10]([c:13]2[n:14][c:15](-[c:24]3[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]3[OH:30])[n:16][c:17]3[cH:18][c:19]([CH3:23])[cH:20][cH:21][c:22]23)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 136649228tert-butyl N-[1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate

Product 1

HCID 1363653722-[4-(3-Aminopyrrolidin-1-yl)-7-methylquinazolin-2-yl]-3-fluorophenol

Sources & evidence

ORD record
ord-3b7114b5c3d64dbaabac80a102a14cf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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