HRID176659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

HCID102533

DL-Phenylalanine benzyl ester

C16H17NO2

HCID563461

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)cc1

HCID178427361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6baeaff18503424397be412b973fc731
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38]([CH:39]([NH2:40])[CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:48].[c:19]1([CH3:20])[c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27][cH:28][cH:29]1.[c:1]1([CH3:18])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH2:16][CH2:17]2)[cH:5][cH:6]1>>[c:1]1([CH3:18])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:12](=[O:14])[NH:40][CH:39]([C:38]([O:37][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:48])[CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:15][CH2:16][CH2:17]2)[cH:5][cH:6]1