HRID296666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

3 次

结构：CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

HCID120098

Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-

C22H20O3

PRODUCTS

生成物

结构：O=C(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

HCID120097

1-(3,5-Bis(phenylmethoxy)phenyl)-2-bromoethan-1-one

C22H19BrO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-990f760374684ecb8210faf45be798c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:26].[Br-:27].[Br-:28].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:23]([CH3:24])=[O:25])[cH:12][c:13]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:14]1.[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[CH3:85][OH:86].[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:23]([CH2:24][Br:26])=[O:25])[cH:12][c:13]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:14]1