HRID207981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)Cc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1

HCID57576289

未命名化合物

结构：CC1C(c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1Br

HCID178421946

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1

HCID66889819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f314707f2a874396876813a574659cfd
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]([CH2:4][N:5]2[C:6](=[O:17])[O:7][CH:8]([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH:9]2[CH3:10])[cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]1.[CH3:26][O:27][C:28]([CH2:29][c:30]1[cH:31][c:32]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[c:33]([O:36][CH3:37])[cH:34][cH:35]1)=[O:47]>>[c:2]1(-[c:32]2[cH:31][c:30]([CH2:29][C:28]([O:27][CH3:26])=[O:47])[cH:35][cH:34][c:33]2[O:36][CH3:37])[c:3]([CH2:4][N:5]2[C:6](=[O:17])[O:7][CH:8]([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH:9]2[CH3:10])[cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]1