HRID1133105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782674

3-Fluoro-4-methylphenylboronic acid

C7H8BFO2

结构：CC(C)(C)OC(=O)N1CCOC(Cc2cccc(C=Cc3cccnc3)c2)C1

HCID77221556

未命名化合物

结构：CC(C)(C)OC(=O)N1CCOC(Cc2ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c2)C1

HCID87792963

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc(CC3CN(C(=O)OC(C)(C)C)CCO3)cc2Cl)cc1F

HCID67073251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a65aeeaf47f2444ca84c3f16ec3eeabb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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