HRID115294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID61230

Diazodiphenylmethane

C13H10N2

结构：C=C1CSC2C(NC(=O)OC(C)(C)C)C(=O)N2C1C(=O)O

HCID12896773

未命名化合物

PRODUCTS

生成物

结构：C=C1CSC2C(NC(=O)OC(C)(C)C)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1

HCID12896775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b1d4c8d585b49df938f877f6e4d30bf
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

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