HRID117328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID1049

Pyridine

C5H5N

HCID7510

Nicotinyl alcohol

C6H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC(OCc1ccc2ccccc2c1)(C(=O)Cl)C(F)(F)F

HCID20314457

未命名化合物

PRODUCTS

生成物

结构：CC(OCc1ccc2ccccc2c1)(C(=O)OCc1cccnc1)C(F)(F)F

HCID20314475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83004e92f0cb4b45ae5f80fa4c25b20c
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

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