Acetic Acid → 4-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

HRID 98624Notes

Reaction equation

HRID 98624 reaction equation
[C:29]([BH3-:30])#[N:31].[CH2:27]=[O:28].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][OH:38].[Na+:32].[n:1]1[o:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][c:9]2[CH:10]1[c:11]2[c:12]([n:24][nH:25][cH:26]2)[NH:13][C:14]([CH:18]2[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]2)=[C:15]1[C:16]#[N:17]>>[n:1]1[o:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][c:9]2[CH:10]1[c:11]2[c:12]([n:24][nH:25][cH:26]2)[NH:13][C:14]([CH:18]2[CH2:19][CH2:20][N:21]([CH3:29])[CH2:22][CH2:23]2)=[C:15]1[C:16]#[N:17]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 178509399HCID 178509399, compound

Product 1

HCID 1784801964-(2,1,3-benzoxadiazol-4-yl)-6-(1-methylpiperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

Sources & evidence

ORD record
ord-34471b9a49c7426aa8fa1196cac02b40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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