HRID87314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID68007

Benzene, 1-(bromomethyl)-3-fluoro-

C7H6BrF

结构：COC(=O)c1cccc2[nH]c3c(c12)C(=O)CC(C)C3

HCID22738715

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc2c1c1c(n2Cc2cccc(F)c2)CC(C)CC1=O

HCID22739604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34d2d1c469f34d3baee158df03413cc2
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

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