Acetic Acid → HCID 178437494, compound

HRID 138582Notes

Reaction equation

HRID 138582 reaction equation
[C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])(=[O:53])[N:54]1[CH2:55][CH:56]([CH3:60])[NH:57][CH2:58][CH2:59]1.[C:61]([O:62][BH-:63]([O:64][C:65](=[O:66])[CH3:67])[O:68][C:69](=[O:70])[CH3:71])(=[O:72])[CH3:73].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:45][CH3:46])[c:10]([CH2:19][N:20]([C:21](=[O:22])[C:23]1([C:26](=[O:27])[NH2:28])[CH2:24][CH2:25]1)[CH2:29][c:30]1[cH:31][c:32](-[c:37]3[cH:38][c:39]([CH:43]=[O:44])[cH:40][cH:41][cH:42]3)[c:33]([CH3:36])[cH:34][cH:35]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:75][C:76](=[O:77])[OH:78].[Cl:79][CH2:80][Cl:81].[F:82][C:83]([F:84])([F:85])[C:86]([OH:87])=[O:88].[Na+:74]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:45][CH3:46])[c:10]([CH2:19][N:20]([C:21](=[O:22])[C:23]1([C:26](=[O:27])[NH2:28])[CH2:24][CH2:25]1)[CH2:29][c:30]1[cH:31][c:32](-[c:37]3[cH:38][c:39]([CH2:43][N:54]4[CH2:55][CH:56]([CH3:60])[NH:57][CH2:58][CH2:59]4)[cH:40][cH:41][cH:42]3)[c:33]([CH3:36])[cH:34][cH:35]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 2724942TriacetoxyborohydrideHCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylateHCID 86633356N1-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N1-[(3'-formyl-6-methyl-3-biphenylyl)methyl]-1,1-cyclopropanedicarboxamide

Product 1

HCID 178437494HCID 178437494, compound

Sources & evidence

ORD record
ord-e84c49f153ec42cc954b4cb8750b59c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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