HRID92830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID13005

2-Methylcyclopentane-1,3-dione

C6H8O2

HCID22747743

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC2=C(C)C(=O)CC2)cc1OC1Cc2ccccc2C1

HCID9863185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0912f8b18f364e05a2840a6bab837254
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

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