HRID2151339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID66023

3-Phenylprop-2-enoyl chloride

C9H7ClO

结构：CC(C)(C)c1ccc(COc2cccc(C(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1

HCID12041309

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(COc2cccc(C(=O)Nc3ccccc3S(=O)(=O)NC(=O)C=Cc3ccccc3)c2)cc1

HCID69970292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3a4efe6c239468fbc683ad5187d3bb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([CH2:20][O:21][c:22]2[cH:23][c:24]([C:25](=[O:26])[NH:27][c:28]3[c:29]([S:34]([NH2:35])(=[O:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]3)[cH:38][cH:39][cH:40]2)[cH:41][cH:42]1.[C:1]([CH:2]=[CH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[Cl:11].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[C:1]([CH:2]=[CH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[NH:35][S:34]([c:29]1[c:28]([NH:27][C:25]([c:24]2[cH:23][c:22]([O:21][CH2:20][c:19]3[cH:18][cH:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:42][cH:41]3)[cH:40][cH:39][cH:38]2)=[O:26])[cH:33][cH:32][cH:31][cH:30]1)(=[O:36])=[O:37]