HRID291873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID8857

Ethyl acetate

C4H8O2

HCID68284

Benzoyl isothiocyanate

C8H5NOS

结构：COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)cc1N

HCID22736966

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)cc1NC(=S)NC(=O)c1ccccc1

HCID22015738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dde554466454fbf9484fdf13d45f403
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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