HRID1561782

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

HCID19660

Carbonate

CO3-2

HCID5107660

4-(Chloromethyl)benzyl alcohol

C8H9ClO

结构：FC(F)(F)c1ccc(-c2cc(CCc3ccccc3)[nH]n2)cc1

HCID23157373

未命名化合物

PRODUCTS

生成物

结构：OCc1ccc(Cn2nc(-c3ccc(C(F)(F)F)cc3)cc2CCc2ccccc2)cc1

HCID23157337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-557d0891f5de44d18e2bad4d24a572c4
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:34](=[O:35])([O-:36])[O-:37].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][OH:33])[cH:30][cH:31]1.[ClH:40].[K+:38].[K+:39].[c:1]1([CH2:7][CH2:8][c:9]2[cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:12][nH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][c:9]2[cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:12][n:13]2[CH2:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][OH:33])[cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1