1,2-Dichloroethane → 7-{2-Fluoro-4-[(3-methyl-butylamino)-methyl]-phenoxy}-2,2-dimethyl-benzo[1,3]dioxin-4-one

HRID 1536399Notes

Reaction equation

HRID 1536399 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:1][C:2]1([CH3:23])[O:3][c:4]2[c:5]([cH:9][cH:10][c:11]([O:13][c:14]3[c:15]([F:22])[cH:16][c:17]([CH:18]=[O:19])[cH:20][cH:21]3)[cH:12]2)[C:6](=[O:8])[O:7]1.[CH3:24][CH:25]([CH2:26][CH2:27][NH2:28])[CH3:29].[Cl:46][CH2:47][CH2:48][Cl:49].[K+:45].[Na+:43].[OH-:44]>>[CH3:1][C:2]1([CH3:23])[O:3][c:4]2[c:5]([cH:9][cH:10][c:11]([O:13][c:14]3[c:15]([F:22])[cH:16][c:17]([CH2:18][NH:28][CH2:27][CH2:26][CH:25]([CH3:24])[CH3:29])[cH:20][cH:21]3)[cH:12]2)[C:6](=[O:8])[O:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 7894IsoamylamineHCID 2724942TriacetoxyborohydrideHCID 579390354-(2,2-Dimethyl-4-oxo-4H-benzo[1,3]dioxin-7-yloxy)-3-fluoro-benzaldehyde

Product 1

HCID 579390307-{2-Fluoro-4-[(3-methyl-butylamino)-methyl]-phenoxy}-2,2-dimethyl-benzo[1,3]dioxin-4-one

Sources & evidence

ORD record
ord-4730487f046245c7992b565fd0cb5ca2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…