Sodium ion → 4-(9-cyclopentyl-7,7-difluoro-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:52]([OH:53])([CH3:54])[CH3:55].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2.[Cl:56][CH2:57][Cl:58].[NH2:21][c:22]1[c:23]([O:38][CH3:39])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:36][cH:37]1.[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64].[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[c:2]1([NH:21][c:22]2[c:23]([O:38][CH3:39])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:36][cH:37]2)[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-fb3c6d71567a46a99c9ab23475908b0b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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