HRID179011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：C=CC(c1cccc(Cl)c1)C(c1ccc(Cl)cc1)N(Cc1ccccc1OC(C)=O)C(C)=O

HCID76834773

未命名化合物

PRODUCTS

生成物

结构：C=CC(c1cccc(Cl)c1)C(NC(C)=O)c1ccc(Cl)cc1

HCID76834572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4950931952d6441690ad57d77319da7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:12]([C:13]([CH3:14])=[O:15])[CH:16]([CH:17]([CH:18]=[CH2:19])[c:20]1[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]1)[c:27]1[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]1)(=[O:10])[CH3:11].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[OH2:34].[c:35]1([CH3:36])[c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43][cH:44][cH:45]1>>[NH:12]([C:13]([CH3:14])=[O:15])[CH:16]([CH:17]([CH:18]=[CH2:19])[c:20]1[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]1)[c:27]1[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]1