HRID86207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17750278

1H-Pyrazol-4-ylboronic acid

C3H5BN2O2

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(-c3ccccc3C(F)(F)F)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68813045

未命名化合物

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68813809

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(-c3cn[nH]c3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68815685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ac06cbeb4284e3b88ebc50b84a40534
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

[Br:63][c:64]1[n:65][c:66]([CH:88]([NH:89][c:90]2[cH:91][cH:92][c:93](-[c:96]3[n:97][o:98][c:99]([CH3:101])[n:100]3)[cH:94][cH:95]2)[c:102]2[c:103]([F:115])[c:104]([O:111][CH:112]([CH3:113])[CH3:114])[cH:105][c:106]([O:108][CH2:109][CH3:110])[cH:107]2)[n:67]([C:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:68]1.[CH2:1]([O:2][c:3]1[cH:4][c:5]([O:6][CH:7]([CH3:8])[CH3:9])[c:10]([F:11])[c:12]([CH:13]([c:14]2[n:15]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:35][c:36](-[c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[C:43]([F:44])([F:45])[F:46])[n:47]2)[NH:48][c:49]2[cH:50][cH:51][c:52](-[c:53]3[n:54][c:55]([CH3:56])[o:57][n:58]3)[cH:59][cH:60]2)[cH:61]1)[CH3:62].[nH:116]1[n:117][cH:118][c:119]([B:121]([OH:122])[OH:123])[cH:120]1>>[c:64]1(-[c:119]2[cH:118][n:117][nH:116][cH:120]2)[n:65][c:66]([CH:88]([NH:89][c:90]2[cH:91][cH:92][c:93](-[c:96]3[n:97][o:98][c:99]([CH3:101])[n:100]3)[cH:94][cH:95]2)[c:102]2[c:103]([F:115])[c:104]([O:111][CH:112]([CH3:113])[CH3:114])[cH:105][c:106]([O:108][CH2:109][CH3:110])[cH:107]2)[n:67]([C:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:68]1