HRID189890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22273603

2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BFNO2

结构：CC(C)Cn1cc(-c2nccc3c(=O)c(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)oc23)cn1

HCID67067767

未命名化合物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(Cl)nccc4c3=O)cc2)CCC1

HCID86671031

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5cccc(F)c5C#N)nccc4c3=O)cc2)CCC1

HCID86671061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ff5bf21936848cdb6d9b4dd011b6cfd
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

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