Sodium ion → 4-(7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide
Reaction equation
[CH:57]([OH:58])([CH3:59])[CH3:60].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:16]1)[NH:7][CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[Cl:54][CH2:55][Cl:56].[NH2:17][c:18]1[c:19]([O:34][CH3:35])[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]2[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33]1.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[c:2]1([NH:17][c:18]2[c:19]([O:34][CH3:35])[cH:20][c:21]([C:22](=[O:23])[NH:24][CH:25]3[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]3)[cH:32][cH:33]2)[n:3][cH:4][c:5]2[c:6]([n:16]1)[NH:7][CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cef63df11c6e4a6da95ed75e2d6590b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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