Water → 4-[[7,7-difluoro-5-methyl-6-oxo-9-(2-phenylcyclopropyl)-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-[3-(dimethylamino)propyl]-3-methoxybenzamide
Reaction equation
[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:46][N:47]([CH2:48][CH2:49][CH2:50][NH2:51])[CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[F:1][C:2]1([F:36])[C:3](=[O:35])[N:4]([CH3:34])[c:5]2[c:6]([n:18][c:19]([NH:22][c:23]3[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]3)[n:20][cH:21]2)[N:7]([CH:9]2[CH:10]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:11]2)[CH2:8]1.[OH2:58]>>[F:1][C:2]1([F:36])[C:3](=[O:35])[N:4]([CH3:34])[c:5]2[c:6]([n:18][c:19]([NH:22][c:23]3[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:29])[NH:51][CH2:50][CH2:49][CH2:48][N:47]([CH3:46])[CH3:52])[cH:30][cH:31]3)[n:20][cH:21]2)[N:7]([CH:9]2[CH:10]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:11]2)[CH2:8]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-259ac99bac544b0795db93e64feac17d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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