HRID694118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2735695

4-tert-Butylphenyl isocyanate

C11H13NO

结构：CC(N)c1ccc(NS(C)(=O)=O)c(C#Cc2ccccc2)c1

HCID68456794

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C#Cc2ccccc2)c1

HCID68455943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a46ac0c8c84ac9b89d1b220b128f57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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