HRID1143429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID102682

Benzyl leucinate

C13H19NO2

HCID54857202

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCSCC2C(=O)NC(CC(C)C)C(=O)OCc2ccccc2)cc1

HCID178427394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-225cfc25f8ea47e3af72dc59b1541483
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[O:38][C:39]([CH:40]([NH2:41])[CH2:42][CH:43]([CH3:44])[CH3:45])=[O:46].[CH3:62][N:63]([c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1)[CH3:70].[CH:47]1([N:48]=[C:49]=[N:50][CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[Cl:71][CH2:72][Cl:73].[c:1]1([CH3:19])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:16](=[O:17])[OH:18])[CH2:12][S:13][CH2:14][CH2:15]2)[cH:5][cH:6]1.[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[c:1]1([CH3:19])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([C:16](=[O:18])[NH:41][CH:40]([C:39]([O:38][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)=[O:46])[CH2:42][CH:43]([CH3:44])[CH3:45])[CH2:12][S:13][CH2:14][CH2:15]2)[cH:5][cH:6]1