HRID120593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID2794756

4-phenoxybenzenesulfonyl Chloride

C12H9ClO3S

结构：CC(C)(C)N1C(=O)C=C(c2ccc(CCN)cc2)S1(=O)=O

HCID21879384

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)C=C(c2ccc(CCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)S1(=O)=O

HCID21878718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89608f2f7a86482390c7a414547a082f
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

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:17]2=[CH:18][C:19](=[O:28])[N:20]([C:24]([CH3:25])([CH3:26])[CH3:27])[S:21]2(=[O:22])=[O:23])[cH:15][cH:16]1.[O:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][c:46]([S:49](=[O:50])(=[O:51])[Cl:52])[cH:47][cH:48]1>>[NH:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:17]2=[CH:18][C:19](=[O:28])[N:20]([C:24]([CH3:25])([CH3:26])[CH3:27])[S:21]2(=[O:22])=[O:23])[cH:15][cH:16]1)[S:49]([c:46]1[cH:45][cH:44][c:43]([O:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:48][cH:47]1)(=[O:50])=[O:51]