HRID1544952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21973458

未命名化合物

HCID68533348

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(NS(C)(=O)=O)cc1Cl

HCID178490470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10203e56a3dd406e9cadc62549e7e3ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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