1,2-Dichloroethane → N-{[6-Chloro-3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide
Reaction equation
[C:67]([O:68][BH-:69]([O:70][C:71](=[O:72])[CH3:73])[O:74][C:75](=[O:76])[CH3:77])(=[O:78])[CH3:79].[CH3:63][C:64](=[O:65])[OH:66].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:16][NH:17][C:18](=[O:19])[c:20]2[cH:21][c:22]([C:26](=[O:27])[NH:28][CH2:29][c:30]3[c:31]([NH:43][CH:44]4[CH2:45][CH2:46][O:47][CH2:48][CH2:49]4)[c:32]4[c:33]([n:34][c:35]3[CH2:36][CH3:37])[n:38]([CH2:41][CH3:42])[n:39][cH:40]4)[cH:23][cH:24][cH:25]2)[cH:6][c:7]1-[c:8]1[cH:9][c:10]([CH:14]=[O:15])[cH:11][cH:12][cH:13]1.[Cl:88][CH2:89][CH2:90][Cl:91].[Cl:92][CH2:93][Cl:94].[F:81][C:82]([F:83])([F:84])[C:85]([OH:86])=[O:87].[N:50]1([C:56]([O:57][C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]1.[Na+:80]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:16][NH:17][C:18](=[O:19])[c:20]2[cH:21][c:22]([C:26](=[O:27])[NH:28][CH2:29][c:30]3[c:31]([NH:43][CH:44]4[CH2:45][CH2:46][O:47][CH2:48][CH2:49]4)[c:32]4[c:33]([n:34][c:35]3[CH2:36][CH3:37])[n:38]([CH2:41][CH3:42])[n:39][cH:40]4)[cH:23][cH:24][cH:25]2)[cH:6][c:7]1-[c:8]1[cH:9][c:10]([CH2:14][N:50]2[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]2)[cH:11][cH:12][cH:13]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-494dc1ae16f94be1b10a84614ab132df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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