HRID125358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID10387

Benzyl chloroformate

C8H7ClO2

反应SMILES：COc1ccc(C2Sc3cc(C)ccc3N(CCN(C)Cc3ccccc3)C(=O)C2OC(C)=O)cc1

HCID23318065

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C2Sc3cc(C)ccc3N(CCN(C)C(=O)OCc3ccccc3)C(=O)C2OC(C)=O)cc1

HCID13652763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4d5422aa369c4697b6e9ab1697c96d35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45](=[O:46])[Cl:47].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:32][cH:33][c:34]([CH3:36])[cH:35]3)[N:13]([CH2:21][CH2:22][N:23]([CH3:24])[CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[C:14](=[O:20])[CH:15]2[O:16][C:17]([CH3:18])=[O:19])[cH:7][cH:8]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]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:32][cH:33][c:34]([CH3:36])[cH:35]3)[N:13]([CH2:21][CH2:22][N:23]([CH3:24])[C:45]([O:44][CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)=[O:46])[C:14](=[O:20])[CH:15]2[O:16][C:17]([CH3:18])=[O:19])[cH:7][cH:8]1