HRID175661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID268472

未命名化合物

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N)c(F)c1

HCID10853284

4'-Amino-3'-fluoro-biphenyl-2-sulfonic acid tert-butylamide

C16H19FN2O2S

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c(F)c1

HCID68806873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10b3bbd543fc4ae292ee38940f78bc63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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