HRID836952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6922

o-(Trifluoromethyl)aniline

C7H6F3N

HCID9731

4-Fluoroaniline

C6H6FN

HCID79617

4-Mesylaniline

C7H9NO2S

结构：Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1

HCID11576344

未命名化合物

HCID14173973

未命名化合物

结构：CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccccc2C(F)(F)F)c1C

HCID67252690

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(-c2ccc(F)cc2)n1-c1ccccc1C(F)(F)F

HCID59807964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b76ba38546e4ca38219b9affdb76b27
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([CH3:28])[n:8](-[c:18]2[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]2)[c:9](-[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[cH:10]1)[CH3:3].[CH2:40]([O:41][C:42](=[O:43])[CH:44]([C:45](=[O:46])[CH3:47])[CH2:48][C:49]([c:50]1[cH:51][cH:52][c:53]([F:54])[cH:55][cH:56]1)=[O:57])[CH3:58].[CH3:100][S:101]([c:102]1[cH:103][cH:104][c:105]([NH2:106])[cH:107][cH:108]1)(=[O:109])=[O:110].[CH3:67][S:68](=[O:69])(=[O:70])[c:71]1[cH:72][cH:73][c:74]([NH:77][C:78]([c:79]2[cH:80][c:81](-[c:82]3[cH:83][cH:84][c:85]([F:86])[cH:87][cH:88]3)[n:89](-[c:90]3[cH:91][cH:92][c:93]([F:94])[cH:95][cH:96]3)[c:97]2[CH3:98])=[O:99])[cH:75][cH:76]1.[F:29][C:30]([F:31])([F:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[NH2:39].[NH2:59][c:60]1[cH:61][cH:62][c:63]([F:64])[cH:65][cH:66]1>>[C:4](=[O:5])([c:6]1[c:7]([CH3:28])[n:8](-[c:18]2[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]2)[c:9](-[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[cH:10]1)[NH:77][c:74]1[cH:73][cH:72][c:71]([S:68]([CH3:67])(=[O:69])=[O:70])[cH:76][cH:75]1