HRID149570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2723685

5-chloro-2-nitrobenzoyl chloride

C7H3Cl2NO3

结构：COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2O)cc1

HCID11068728

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1

HCID13421503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b8b07af37ff449b84fed45f6622bdad
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

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