HRID123000

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)ccn3)cc2)OC1(C)C

HCID57955291

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncnn2c1CN1CCOCC1

HCID23653421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad1da74457104862aad4994ba113dfcf
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: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([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[cH:29][cH:30][c:31]([NH:34][C:35](=[O:36])[NH:37][c:38]3[n:39][cH:40][cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]3)[cH:32][cH:33]2)[O:48]1.[F:49][c:50]1[cH:51][cH:52][c:53]([C:54]([F:55])([F:56])[F:57])[cH:58][c:59]1[NH:60][C:61]([NH:62][c:63]1[cH:64][cH:65][c:66]([B:67]2[O:68][C:69]([CH3:70])([CH3:71])[C:72]([CH3:73])([CH3:74])[O:75]2)[cH:76][cH:77]1)=[O:78]>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([NH:34][C:35](=[O:36])[NH:37][c:38]3[n:39][cH:40][cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]3)[cH:32][cH:33]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