HRID155882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID410817

O-Methyl-DL-leucine

C7H15NO2

结构：CS(=O)(=O)c1ccc(C(=O)c2ccc(Br)cc2)cc1

HCID21262853

(4-Bromophenyl)[4-(methylsulfonyl)phenyl]methanone

C14H11BrO3S

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)N=C(c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1

HCID87345418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7584894f6afd440aa90890b62a3808b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]2)[cH:6][cH:7]1.[C:31]12([CH2:32][S:33]([OH:34])(=[O:35])=[O:36])[C:37]([CH3:38])([CH3:39])[CH:40]([CH2:41][CH2:42]1)[CH2:43][C:44]2=[O:45].[CH3:21][O:22][C:23]([CH:24]([NH2:25])[CH2:26][CH:27]([CH3:28])[CH3:29])=[O:30].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[ClH:20]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:10]2[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]2)=[N:25][CH:24]([C:23]([O:22][CH3:21])=[O:30])[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:6][cH:7]1