HRID1211593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID75430

Butane-1-sulfonyl chloride

C4H9ClO2S

结构：COc1ccc(NC(=O)c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID10811899

4-Amino-2-[[4-(1,1-dimethylethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

C25H27N3O3

PRODUCTS

生成物

结构：CCCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1

HCID18174471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96bfb73e931e4928a0d956e786dcb521
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]3)[cH:25][cH:26][c:27]([NH2:29])[cH:28]2)[cH:30][cH:31]1.[CH2:32]([CH2:33][CH2:34][CH3:35])[S:36](=[O:37])(=[O:38])[Cl:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]3)[cH:25][cH:26][c:27]([NH:29][S:36]([CH2:32][CH2:33][CH2:34][CH3:35])(=[O:37])=[O:38])[cH:28]2)[cH:30][cH:31]1