1,2-Dichloroethane → 1-N-[[4-chloro-3-[3-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]phenyl]methyl]-3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,3-dicarboxamide

HRID 122723Notes

Reaction equation

HRID 122723 reaction equation
[C:64]([O:65][BH-:66]([O:67][C:68](=[O:69])[CH3:70])[O:71][C:72](=[O:73])[CH3:74])(=[O:75])[CH3:76].[CH3:60][C:61](=[O:62])[OH:63].[CH:50]12[N:51]([C:57]([O-:58])=[O:59])[CH2:52][CH:53]([NH:54][CH2:55]1)[CH2:56]2.[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:85][CH2:86][CH2:87][Cl:88].[Cl:89][CH2:90][Cl:91].[F:78][C:79]([F:80])([F:81])[C:82]([OH:83])=[O:84].[Na+:77]>>[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:51]2[CH:50]3[CH2:55][NH:54][CH:53]([CH2:52]2)[CH2:56]3)[cH:11][cH:12][cH:13]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 2724942TriacetoxyborohydrideHCID 21899484HCID 21899484, compoundHCID 57813357HCID 57813357, compound

Product 1

HCID 1784375051-N-[[4-chloro-3-[3-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]phenyl]methyl]-3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,3-dicarboxamide

Sources & evidence

ORD record
ord-c698dd2ee8a047bca6f534cb9c22550f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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