Potassium Cation → HCID 178473998, compound

HRID 113496Notes

Reaction equation

HRID 113496 reaction equation
[C:1]([CH3:2])(=[O:3])[n:4]1[nH:5][c:6](=[O:21])[c:7]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]2)[c:8]1[CH3:9].[C:22](=[O:23])([O-:24])[O-:25].[C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])(=[O:33])[O:34][CH:35]1[CH:36]([Br:63])[O:37][CH:38]([CH2:55][O:56][C:57]([C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[CH:39]([O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[CH:40]1[O:41][C:42]([C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47].[CH3:64][C:65]#[N:66].[K+:26].[K+:27].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1>>[C:1]([CH3:2])(=[O:3])[n:4]1[n:5][c:6]([O:21][CH:36]2[CH:35]([O:34][C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH:40]([O:41][C:42]([C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH:39]([O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[CH:38]([CH2:55][O:56][C:57]([C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[O:37]2)[c:7]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH:18]([CH3:19])[CH3:20])[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 673496361-acetyl-5-methyl-4-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1H-pyrazol-3-one

Product 1

HCID 178473998HCID 178473998, compound

Sources & evidence

ORD record
ord-f1493f38b856412ab44d0f201dbfe001
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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