Acetone → Methyl 4-[3-[[3,5-bis(trifluoromethyl)phenyl]methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

HRID 1114914Notes

Reaction equation

HRID 1114914 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)=[O:28])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:8][cH:9]1)=[O:29].[CH3:53][C:54](=[O:55])[CH3:56].[Cs+:51].[Cs+:52].[F:30][C:31]([c:32]1[cH:33][c:34]([CH:35]=[N:36][OH:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)=[O:28])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:37][N:36]=[CH:35][c:34]2[cH:33][c:32]([C:31]([F:30])([F:45])[F:46])[cH:40][c:39]([C:41]([F:42])([F:43])[F:44])[cH:38]2)[cH:8][cH:9]1)=[O:29]

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27263643,5-Bis-trifluoromethyl-benzaldehyde oximeHCID 692101914-(3-Bromo-propoxy)-2-(4-trifluoromethoxy-benzoylamino)-benzoic acid methyl ester

Product 1

HCID 91273283Methyl 4-[3-[[3,5-bis(trifluoromethyl)phenyl]methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

Sources & evidence

ORD record
ord-9d2014f9ba3d4c2b939af7f78735cadf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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