1,2-Dichloroethane → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({2-methyl-3'-[(4-methylhexahydro-1H-1,4-diazepin-1-yl)methyl]-3-biphenylyl}methyl)-1,3-benzenedicarboxamide

HRID 178469Notes

Reaction equation

HRID 178469 reaction equation
[C:58]([O:59][BH-:60]([O:61][C:62](=[O:63])[CH3:64])[O:65][C:66](=[O:67])[CH3:68])(=[O:69])[CH3:70].[C:72]([OH:73])(=[O:74])[CH3:75].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:48][CH3:49])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[c:34]([CH3:47])[c:35](-[c:39]4[cH:40][c:41]([CH:45]=[O:46])[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:50][N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56][CH2:57]1.[Cl:76][CH2:77][CH2:78][Cl:79].[Na+:71]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:48][CH3:49])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[c:34]([CH3:47])[c:35](-[c:39]4[cH:40][c:41]([CH2:45][N:54]5[CH2:53][CH2:52][N:51]([CH3:50])[CH2:57][CH2:56][CH2:55]5)[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 2283491-MethylhomopiperazineHCID 2724942TriacetoxyborohydrideHCID 57813263HCID 57813263, compound

Product 1

HCID 44180193N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({2-methyl-3'-[(4-methylhexahydro-1H-1,4-diazepin-1-yl)methyl]-3-biphenylyl}methyl)-1,3-benzenedicarboxamide

Sources & evidence

ORD record
ord-5b4ecd7fa7f74bba8e8249e2ec14cb1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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