HRID1562458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID12355701

4-(Chloromethyl)quinoline

C10H8ClN

结构：Oc1ccccc1-c1nnc(Nc2cccc(C(F)(F)F)c2)o1

HCID136094543

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cccc(Nc2nnc(-c3ccccc3OCc3ccnc4ccccc34)o2)c1

HCID24995534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89edef115dfb47589a30dabbb959971b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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