Acetic Acid → HCID 178437502, compound

HRID 209229Notes

Reaction equation

HRID 209229 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].[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[n:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:40]4[cH:41][c:42]([CH:46]=[O:47])[cH:43][cH:44][cH:45]4)[c:36]([CH3:39])[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.[CH3:78][C:79](=[O:80])[OH:81].[CH:50]12[N:51]([C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[CH2:52][CH:53]([NH:54][CH2:55]1)[CH2:56]2.[Cl:82][CH2:83][Cl:84].[Na+:77]>>[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[n:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:40]4[cH:41][c:42]([CH2:46][N:54]5[CH:53]6[CH2:52][N:51]([C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[CH:50]([CH2:55]5)[CH2:56]6)[cH:43][cH:44][cH:45]4)[c:36]([CH3:39])[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 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 57819380N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-[(3'-formyl-6-methyl-3-biphenylyl)methyl]-2,6-pyridinedicarboxamide

Product 1

HCID 178437502HCID 178437502, compound

Sources & evidence

ORD record
ord-80ca6309bc1a4a6bb3baa5375fda9e01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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