Potassium Cation → HCID 57467212, compound

HRID 1140847Notes

Reaction equation

HRID 1140847 reaction equation
[CH3:70][C:71]#[N:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH:8]([NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:9][CH2:10][c:11]3[cH:12][cH:13][c:14]([OH:17])[cH:15][c:16]32)[cH:26][cH:27]1.[Cl:28][c:29]1[cH:30][c:31]([CH2:36][CH:37]2[c:38]3[c:39]([cH:40][cH:41][c:42]([OH:43])[cH:44]3)[CH2:45][CH2:46][CH:47]2[NH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:32][cH:33][c:34]1[Cl:35].[Cl:58][C:59]([C:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)=[O:67])([F:68])[F:69].[K+:57].[OH-:56]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH:8]([NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:9][CH2:10][c:11]3[cH:12][cH:13][c:14]([O:17][CH:59]([F:68])[F:69])[cH:15][c:16]32)[cH:26][cH:27]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 961HydroxideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 2382962-Chloro-2,2-difluoroacetophenoneHCID 57467203HCID 57467203, compoundHCID 59547800HCID 59547800, compound

Product 1

HCID 57467212HCID 57467212, compound

Sources & evidence

ORD record
ord-787bf107dd194da1bd6f2986aa8c5602
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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