HRID811122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)OC1(C)C

HCID16125230

未命名化合物

结构：Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1F

HCID57955219

未命名化合物

HCID57955240

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2c(C)c(CN3CCOCC3)n3ncnc(N)c23)ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1F

HCID57955200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23f1493829fe47b6bb86a8357a31d19e
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

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