Acetone → HCID 178447501, compound

HRID 2332187Notes

Reaction equation

HRID 2332187 reaction equation
[Br:60][CH2:61][CH2:62][O:63][CH2:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[C:54](=[O:55])([O-:56])[O-:57].[CH3:73][C:74](=[O:75])[CH3:76].[Cs+:58].[Cs+:59].[I-:72].[Na+:71].[c:1]1([CH2:7][CH2:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[nH:15][n:16][c:17]3[O:18][CH:19]2[CH:20]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:28]([O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]([O:37][C:38]([C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH:44]([CH2:46][O:47][C:48]([C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[O:45]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[n:15]([CH2:61][CH2:62][O:63][CH2:64][c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[n:16][c:17]3[O:18][CH:19]2[CH:20]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:28]([O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]([O:37][C:38]([C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH:44]([CH2:46][O:47][C:48]([C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[O:45]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ionHCID 19660Carbonate IonHCID 30165Iodide IonHCID 73833Benzene, ((2-bromoethoxy)methyl)-HCID 104967Cesium cation2×HCID 178447509[3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[[4-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate

Product 1

HCID 178447501HCID 178447501, compound

Sources & evidence

ORD record
ord-4e0c58e8b0044b0eae211ba65d83db0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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