HRID1217343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID23143241

未命名化合物

HCID23157307

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(OCc2ccc(Cn3nc(C(C)(C)C)cc3CCc3ccccc3)cc2)cc1F

HCID23159843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-553eebbb409c4de187b8aa31d95e2c89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][nH:7][c:8]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][O:27][c:28]2[cH:29][c:30]([F:41])[c:31]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:32][cH:33]2)[cH:42][cH:43]1.[ClH:44].[H-:18].[Na+:19]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:21][c:22]2[cH:23][cH:24][c:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([F:41])[c:31]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:32][cH:33]3)[cH:42][cH:43]2)[c:8]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9]1