Acetic Acid → HCID 178484674, compound

HRID 1239850Notes

Reaction equation

HRID 1239850 reaction equation
[C:67]([OH:68])(=[O:69])[CH3:70].[C:71]([O:72][BH-:73]([O:74][C:75](=[O:76])[CH3:77])[O:78][C:79](=[O:80])[CH3:81])(=[O:82])[CH3:83].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:90][CH2:91][O:92][C:93]([CH3:94])=[O:95].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:11][c:12]3[c:13]([n:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([C:24](=[O:25])[N:26]([CH3:27])[CH3:28])[CH2:22][CH2:23]4)[n:16][cH:17]3)[n:29]2)[cH:7][cH:8]1.[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[NH:43]1[CH2:44][CH2:45][CH:46]([c:49]2[nH:50][c:51](-[c:54]3[n:55][cH:56][cH:57][cH:58][cH:59]3)[n:52][n:53]2)[CH2:47][CH2:48]1.[Na+:84].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:11][c:12]3[c:13]([n:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([C:24](=[O:25])[N:26]([CH3:27])[CH3:28])[CH2:22][CH2:23]4)[n:16][cH:17]3)[n:29]2)[cH:7][cH:8]1)[N:43]1[CH2:44][CH2:45][CH:46]([c:49]2[nH:50][c:51](-[c:54]3[n:55][cH:56][cH:57][cH:58][cH:59]3)[n:52][n:53]2)[CH2:47][CH2:48]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 577139594-[7-(4-formylphenyl)-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperazine-1-carboxamideHCID 1784201662-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

Product 1

HCID 178484674HCID 178484674, compound

Sources & evidence

ORD record
ord-7a072f013cfa4ef49e724b86205c0937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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