HRID1215657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID57665523

未命名化合物

结构：CC(C)(C)c1ccc(C=C(C(=O)O)c2ccccc2)cc1

HCID68453697

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cc(CNC(=O)C(=Cc2ccc(C(C)(C)C)cc2)c2ccccc2)ccc1NS(C)(=O)=O

HCID68456138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e571a8f88ec24cd8a3c8dfd93f0842c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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