Dichloromethane → 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)-2-fluoro-5-methoxy-N-piperidin-4-yl-benzamide
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[c:17]([F:45])[cH:18][c:19]([NH:24][c:25]3[n:26][cH:27][c:28]4[c:29]([n:44]3)[N:30]([CH:39]3[CH2:40][CH2:41][CH2:42][CH2:43]3)[CH2:31][C:32]([F:37])([F:38])[C:33](=[O:36])[N:34]4[CH3:35])[c:20]([O:22][CH3:23])[cH:21]2)=[O:46])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:47][CH2:48][Cl:49].[Cl:57][CH2:58][Cl:59].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[c:17]([F:45])[cH:18][c:19]([NH:24][c:25]3[n:26][cH:27][c:28]4[c:29]([n:44]3)[N:30]([CH:39]3[CH2:40][CH2:41][CH2:42][CH2:43]3)[CH2:31][C:32]([F:37])([F:38])[C:33](=[O:36])[N:34]4[CH3:35])[c:20]([O:22][CH3:23])[cH:21]2)=[O:46])[CH2:12][CH2:13]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1524e3cd547b4d6e9256eefcf7cc9f3a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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