Sodium ion → 2-[4-[3-(Aminomethyl)pyrrolidin-1-yl]-7-methylquinazolin-2-yl]-3-fluorophenol
Reaction equation
[C:8](=[O:9])([O-:10])[O-:11].[CH2:14]([C:15]([CH3:16])=[O:17])[CH:18]([CH3:19])[CH3:20].[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[N:46][CH2:47][CH:48]1[CH2:49][N:50]([c:53]2[n:54][c:55](-[c:64]3[c:65]([OH:71])[cH:66][cH:67][cH:68][c:69]3[F:70])[n:56][c:57]3[cH:58][c:59]([CH3:63])[cH:60][cH:61][c:62]23)[CH2:51][CH2:52]1)[CH3:72].[CH:73]([OH:74])([CH3:75])[CH3:76].[Cl:21][c:22]1[c:23]2[c:24]([cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[n:30][c:31](-[c:32]2[c:33]([F:34])[cH:35][cH:36][cH:37][c:38]2[OH:39])[n:40]1.[NH:1]1[CH2:2][CH2:3][CH:4]([CH2:5][NH2:6])[CH2:7]1.[Na+:12].[Na+:13].[OH2:77]>>[NH2:46][CH2:47][CH:48]1[CH2:49][N:50]([c:53]2[n:54][c:55](-[c:64]3[c:65]([OH:71])[cH:66][cH:67][cH:68][c:69]3[F:70])[n:56][c:57]3[cH:58][c:59]([CH3:63])[cH:60][cH:61][c:62]23)[CH2:51][CH2:52]1Participants
9
Reactant 8
HCID 923Sodium ion2×
HCID 962Water
HCID 3776Isopropanol
HCID 7909Methyl Isobutyl Ketone
HCID 19660Carbonate Ion
HCID 50687753-Pyrrolidinemethanamine
HCID 1361213752-(4-Chloro-7-methylquinazolin-2-yl)-3-fluorophenol
HCID 1363670023-Fluoro-2-[7-methyl-4-[3-[(4-methylpentan-2-ylideneamino)methyl]pyrrolidin-1-yl]quinazolin-2-yl]phenolProduct 1
Sources & evidence
- ORD record
- ord-cafe30852c9b4e229b56dc4a3e1ab1b3
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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