Potassium Cation → HCID 178473997, compound

HRID 2127030Notes

Reaction equation

HRID 2127030 reaction equation
[C:1]([CH3:2])(=[O:3])[n:4]1[nH:5][c:6](=[O:19])[c:7]([CH2:10][c:11]2[cH:12][c:13]([F:18])[c:14]([CH3:17])[cH:15][cH:16]2)[c:8]1[CH3:9].[C:20](=[O:21])([O-:22])[O-:23].[C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:31])[O:32][CH:33]1[CH:34]([Br:61])[O:35][CH:36]([CH2:53][O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[CH:37]([O:46][C:47]([C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH:38]1[O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45].[CH3:62][C:63]#[N:64].[K+:24].[K+:25].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[C:1]([CH3:2])(=[O:3])[n:4]1[n:5][c:6]([O:19][CH:34]2[CH:33]([O:32][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH:38]([O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH:37]([O:46][C:47]([C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH:36]([CH2:53][O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[O:35]2)[c:7]([CH2:10][c:11]2[cH:12][c:13]([F:18])[c:14]([CH3:17])[cH:15][cH:16]2)[c:8]1[CH3:9]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 14583857[(2S,3S,4S,5R,6S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoateHCID 673476411-acetyl-4-[(3-fluoro-4-methyl-phenyl)methyl]-1,2-dihydro-5-methyl-3H-pyrazol-3-one

Product 1

HCID 178473997HCID 178473997, compound

Sources & evidence

ORD record
ord-43f18d3fa47a4c20a551e6b097086677
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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