HRID1565073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID518900

Methyl (4-hydroxyphenyl)acetate

C9H10O3

HCID23089395

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CC(=O)OC)cc1

HCID57804319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1d7d8828a8a4edda78c01251f6faf21
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:22](=[O:23])([O-:24])[O-:25].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[s:8][c:9]1[CH2:10][Cl:11].[Cs+:26].[Cs+:27].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40].[OH:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][C:36](=[O:37])[O:38][CH3:39])[cH:33][cH:34]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[s:8][c:9]1[CH2:10][O:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][C:36](=[O:37])[O:38][CH3:39])[cH:33][cH:34]1