HRID86672

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

HCID4192171

tert-butyl 3-aminopropanoate

C7H15NO2

结构：FC(F)(F)c1cc(-c2sc3ccc(CBr)cc3c2Cl)ccc1-c1ccccc1

HCID68452603

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCNCc1ccc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c(Cl)c2c1

HCID68451228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa5401a759048078c83b814aaa1c675
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

[Br:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([s:7][c:8](-[c:11]3[cH:12][c:13]([C:23]([F:24])([F:25])[F:26])[c:14](-[c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[cH:15][cH:16]3)[c:9]2[Cl:10])[cH:27][cH:28]1.[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35]([CH2:36][CH2:37][NH2:38])=[O:39].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[ClH:29].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH2:2]([c:3]1[cH:4][c:5]2[c:6]([s:7][c:8](-[c:11]3[cH:12][c:13]([C:23]([F:24])([F:25])[F:26])[c:14](-[c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[cH:15][cH:16]3)[c:9]2[Cl:10])[cH:27][cH:28]1)[NH:38][CH2:37][CH2:36][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:39]