HRID184179

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)ccn1

HCID57955159

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)ccn1

HCID57955305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-079a2ee412334c649302b29c3a69f01f
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

[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.[CH3:20][c:21]1[c:22]([NH:36][C:37](=[O:38])[NH:39][c:40]2[n:41][cH:42][cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)[cH:23][cH:24][c:25]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:26]1.[F:50][c:51]1[cH:52][cH:53][c:54]([C:55]([F:56])([F:57])[F:58])[cH:59][c:60]1[NH:61][C:62]([NH:63][c:64]1[cH:65][cH:66][c:67]([B:68]2[O:69][C:70]([CH3:71])([CH3:72])[C:73]([CH3:74])([CH3:75])[O:76]2)[cH:77][cH:78]1)=[O:79]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([NH:36][C:37](=[O:38])[NH:39][c:40]3[n:41][cH:42][cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]3)[c:21]([CH3:20])[cH:26]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