HRID663389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID260

Hydrogen Bromide

BrH

结构：CCC(=O)OC1C(=O)N(CCN(C)C(=O)OCc2ccccc2)c2ccc(Cl)cc2SC1c1ccc(OC)cc1

HCID23323452

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)OC1C(=O)N(CCNC)c2ccc(Cl)cc2SC1c1ccc(OC)cc1

HCID13604033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e350c74738e94674a2dc81f75aba6cbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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