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)-3-methoxy-N-(3-piperazin-1-yl-propyl)-benzamide
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH:17][C:18]([c:19]2[cH:20][c:21]([O:46][CH3:47])[c:22]([NH:25][c:26]3[n:27][cH:28][c:29]4[c:30]([n:45]3)[N:31]([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[CH2:32][C:33]([F:38])([F:39])[C:34](=[O:37])[N:35]4[CH3:36])[cH:23][cH:24]2)=[O:48])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:56][CH2:57][Cl:58].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH:17][C:18]([c:19]2[cH:20][c:21]([O:46][CH3:47])[c:22]([NH:25][c:26]3[n:27][cH:28][c:29]4[c:30]([n:45]3)[N:31]([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[CH2:32][C:33]([F:38])([F:39])[C:34](=[O:37])[N:35]4[CH3:36])[cH:23][cH:24]2)=[O:48])[CH2:12][CH2:13]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-4dac0f5dddc547449d5f2a45122dc0a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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