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

HRID 147355Notes

Reaction equation

HRID 147355 reaction equation
[C:43](=[O:44])([O-:45])[O-: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][Br:14])[cH:8][cH:9]1)=[O:29].[CH3:49][C:50](=[O:51])[CH3:52].[Cs+:47].[Cs+:48].[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([CH:36]=[N:37][OH:38])[cH:39][cH:40]1)([F:41])[F:42]>>[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:38][N:37]=[CH:36][c:35]2[cH:34][cH:33][c:32]([C:31]([F:30])([F:41])[F:42])[cH:40][cH:39]2)[cH:8][cH:9]1)=[O:29]

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 3056297Benzaldehyde, 4-(trifluoromethyl)-, oximeHCID 692101914-(3-Bromo-propoxy)-2-(4-trifluoromethoxy-benzoylamino)-benzoic acid methyl ester

Product 1

HCID 90759139Methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]-4-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]oxypropoxy]benzoate

Sources & evidence

ORD record
ord-bdc0d223dbcc473c8e3b892c9341897e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…