Water → 1-(2,2,2-trifluoroethyl)4-(2,4,6-trimethoxybenzyl)-3,4-dihydro-1H-1,4benzodiazepine-2,5-dione

HRID 98822

Reaction equation

HRID 98822 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[CH2:7][C:8](=[O:18])[NH:9][c:10]3[c:11]([cH:14][cH:15][cH:16][cH:17]3)[C:12]2=[O:13])[c:19]([O:25][CH3:26])[cH:20][c:21]([O:23][CH3:24])[cH:22]1.[Cs+:31].[Cs+:32].[F:33][C:34]([CH2:35][I:36])([F:37])[F:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[CH2:7][C:8](=[O:18])[N:9]([CH2:35][C:34]([F:33])([F:37])[F:38])[c:10]3[c:11]([cH:14][cH:15][cH:16][cH:17]3)[C:12]2=[O:13])[c:19]([O:25][CH3:26])[cH:20][c:21]([O:23][CH3:24])[cH:22]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 677091,1,1-Trifluoro-2-iodoethaneHCID 104967Cesium cation2×HCID 219557674-(2,4,6-trimethoxybenzyl)-3,4-dihydro-1H-1,4benzodiazepine-2,5-dione

Product 1

HCID 219556511-(2,2,2-trifluoroethyl)4-(2,4,6-trimethoxybenzyl)-3,4-dihydro-1H-1,4benzodiazepine-2,5-dione

Sources & evidence

ORD record
ord-7d65fa76bc934ba5b33c767febf575e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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