HRID2322671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9731

4-Fluoroaniline

C6H6FN

结构：CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1

HCID56962769

未命名化合物

结构：CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccccc2F)cc1

HCID56962770

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1

HCID67517791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b529703f20714a23918893886c6db982
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:40][c:41]1[cH:42][cH:43][c:44](-[n:45]2[c:46]([C:47]([NH:48][CH3:49])=[O:50])[c:51]3[c:52]([cH:53][c:54]([N:55]([CH2:56][CH2:57][CH2:58][OH:59])[S:60]([CH3:61])(=[O:62])=[O:63])[c:64]([CH:65]4[CH2:66][CH2:67]4)[cH:68]3)[n:69]2)[cH:70][cH:71]1.[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([C:36](=[O:37])[NH:38][CH3:39])[n:8](-[c:22]4[cH:23][cH:24][c:25]([NH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[F:35])[cH:26][cH:27]4)[n:9][c:10]3[cH:11][c:12]2[N:13]([S:14](=[O:15])(=[O:16])[CH3:17])[CH2:18][CH2:19][CH2:20][OH:21])[CH2:2][CH2:3]1.[NH2:72][c:73]1[cH:74][cH:75][c:76]([F:77])[cH:78][cH:79]1>>[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([C:36](=[O:37])[NH:38][CH3:39])[n:8](-[c:22]4[cH:23][cH:24][c:25]([NH:28][c:73]5[cH:74][cH:75][c:76]([F:77])[cH:78][cH:79]5)[cH:26][cH:27]4)[n:9][c:10]3[cH:11][c:12]2[N:13]([S:14](=[O:15])(=[O:16])[CH3:17])[CH2:18][CH2:19][CH2:20][OH:21])[CH2:2][CH2:3]1