Sodium ion → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-[1-(3-methanesulfonyl-propyl)-piperidin-4-yl]-3-methoxy-benzamide
Reaction equation
[CH:65]([OH:66])([CH3:67])[CH3:68].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:21]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[Cl:69][CH2:70][Cl:71].[NH2:22][c:23]1[c:24]([O:45][CH3:46])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][N:33]([CH2:36][CH2:37][CH2:38][S:39](=[O:40])(=[O:41])[CH3:42])[CH2:34][CH2:35]2)[cH:43][cH:44]1.[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64].[OH2:47].[c:48]1([CH3:49])[cH:50][cH:51][c:52]([S:53]([OH:54])(=[O:55])=[O:56])[cH:57][cH:58]1>>[c:2]1([NH:22][c:23]2[c:24]([O:45][CH3:46])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]3[CH2:31][CH2:32][N:33]([CH2:36][CH2:37][CH2:38][S:39](=[O:40])(=[O:41])[CH3:42])[CH2:34][CH2:35]3)[cH:43][cH:44]2)[n:3][cH:4][c:5]2[c:6]([n:21]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[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-16d0e04db1784dfd8410fa2379f06a01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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