Acetone → HCID 76540588, compound

HRID 669576Notes

Reaction equation

HRID 669576 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:8][cH:9]1)=[O:32].[CH3:52][C:53](=[O:54])[CH3:55].[Cs+:50].[Cs+:51].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([CH:39]=[N:40][OH:41])[cH:42][cH:43]1)([F:44])[F:45]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:41][N:40]=[CH:39][c:38]2[cH:37][cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:43][cH:42]2)[cH:8][cH:9]1)=[O:32]

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 3056297Benzaldehyde, 4-(trifluoromethyl)-, oximeHCID 865974012-(3,5-Bis-trifluoromethyl-benzoylamino)-4-(3-bromo-propoxy)-benzoic acid methyl ester

Product 1

HCID 76540588HCID 76540588, compound

Sources & evidence

ORD record
ord-20795bbb87614b838996d2346b49bdcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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