Acetic Acid → 1-(Tert-butoxycarbonyl)-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]piperidine-3-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([C:14](=[O:15])[OH:16])([NH:17][CH2:18][c:19]2[cH:20][c:21]3[c:22]([NH:31][c:32]4[c:33]([F:39])[c:34]([Cl:38])[cH:35][cH:36][cH:37]4)[n:23][cH:24][n:25][c:26]3[cH:27][c:28]2[O:29][CH3:30])[CH2:11][CH2:12][CH2:13]1.[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH2:40]=[O:41].[CH3:61][C:62](=[O:63])[OH:64].[Cl:65][CH2:66][Cl:67].[Na+:55].[Na+:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([C:14](=[O:15])[OH:16])([N:17]([CH2:18][c:19]2[cH:20][c:21]3[c:22]([NH:31][c:32]4[c:33]([F:39])[c:34]([Cl:38])[cH:35][cH:36][cH:37]4)[n:23][cH:24][n:25][c:26]3[cH:27][c:28]2[O:29][CH3:30])[CH3:42])[CH2:11][CH2:12][CH2:13]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-405c02a98485464aa9a4ce09cccfa068
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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