HRID1564061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2337

Benzocaine

C9H11NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID3307011

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)Cc2cc(Br)ccc2OCc2ccccc2)cc1

HCID54475189

Ethyl 4-[[2-[5-bromo-2-(phenylmethoxy)phenyl]acetyl]amino]benzoate

C24H22BrNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f415084368e642b7aac28733df13961a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:16][C:17](=[O:18])[OH:19])[cH:11][c:12]([Br:15])[cH:13][cH:14]1.[CH3:29][CH2:30][O:31][C:32](=[O:33])[c:34]1[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:48][CH2:49][Cl:50].[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[S:20]([Cl:21])([Cl:22])=[O:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:16][C:17](=[O:19])[NH:38][c:37]2[cH:36][cH:35][c:34]([C:32]([O:31][CH2:30][CH3:29])=[O:33])[cH:40][cH:39]2)[cH:11][c:12]([Br:15])[cH:13][cH:14]1