Sodium ion → 7-[4-(4-Butyl-phenylethynyl)-benzylamino]-2,2-dimethyl-benzo[1,3]dioxin-4-one

HRID 800021Notes

Reaction equation

HRID 800021 reaction equation
[BH4-:36].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[NH2:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([cH:34]1)[O:27][C:28]([CH3:32])([CH3:33])[O:29][C:30]2=[O:31].[Na+:37].[OH2:35]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([cH:34]3)[O:27][C:28]([CH3:32])([CH3:33])[O:29][C:30]4=[O:31])[cH:19][cH:20]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 113345124-[2-(4-Butylphenyl)ethynyl]benzaldehydeHCID 231100727-Amino-2,2-dimethyl-4H-1,3-benzodioxine-4-one

Product 1

HCID 114192887-[4-(4-Butyl-phenylethynyl)-benzylamino]-2,2-dimethyl-benzo[1,3]dioxin-4-one

Sources & evidence

ORD record
ord-eb777561d19b426f90b67339ee8f94e8
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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