HRID1116870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6367

Acetyl chloride

C2H3ClO

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

结构：CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID9843452

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(NC(C)=O)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID15984032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aef7f3f35ce4491dae64ac9c1eecb366
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

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