HRID100496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(-c2noc(C)n2)c(C(=O)Cl)cc1OCc1ccccc1

HCID86647227

未命名化合物

HCID178528065

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2noc(C)n2)c(C(=O)Cc2ccccc2)cc1OCc1ccccc1

HCID67095985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce20495b181a4075850d6b32434742f4
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-:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:24][CH3:25])[cH:11][c:12](-[c:18]2[n:19][o:20][c:21]([CH3:23])[n:22]2)[c:13]([C:14](=[O:15])[Cl:16])[cH:17]1.[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[Zn+:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[ClH:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:24][CH3:25])[cH:11][c:12](-[c:18]2[n:19][o:20][c:21]([CH3:23])[n:22]2)[c:13]([C:14](=[O:15])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:17]1