HRID86934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID223376

未命名化合物

结构：CC(=O)c1cc2c(Br)ccc(OC(C)c3ccccc3)c2o1

HCID11314355

1-[4-bromo-7-(1-phenylethoxy)benzofuran-2-yl]ethanone

C18H15BrO3

PRODUCTS

生成物

结构：CCN(CC)C(=O)C=C(C)c1ccc(OC(C)c2ccccc2)c2oc(C(C)=O)cc12

HCID69075592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-533c6b85a2734a98a1e7812ff9a48abd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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