HRID2345827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

结构：CC(C)CC(C(=O)NN1C(=O)NC2(CCNCC2)C1=O)C(CCCc1ccccc1)C(=O)OC(C)(C)C

HCID178445318

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN1C(=O)NC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O)C(CCCc1ccccc1)C(=O)OC(C)(C)C

HCID178445321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5db53d08dd4046d99eb7ad1bdb87f08d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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