Beta-Alanine → N-(8-(2,6-difluorophenyl)-4-{2-methyl-5-[(propylamino)carbonyl]phenyl}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl)-beta-alanine
Reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:36])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:32]([CH3:33])(=[O:34])=[O:35])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH3:27])[cH:28][cH:29][c:30]2[CH3:31])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[NH2:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:36])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][CH2:26][CH3:27])[cH:28][cH:29][c:30]2[CH3:31])[c:4]([F:8])[cH:5][cH:6][cH:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-9b755609e985450f833196e4d25c279a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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