HRID177231

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

HCID57955240

未命名化合物

结构：CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)OC1(C)C

HCID57955257

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c2c(N)ncnn2c1CN1CCOCC1

HCID57955149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c30676be26d148158b881c141da9cce6
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.[Cl:20][c:21]1[c:22]([NH:31][C:32](=[O:33])[NH:34][c:35]2[cH:36][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: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:38]2[cH:37][cH:36][c:35]([NH:34][C:32]([NH:31][c:22]3[c:21]([Cl: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