HRID205872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID517981

Methyl 3-(bromomethyl)benzoate

C9H9BrO2

结构：Cc1cnc(C(O)(C(C)c2ccc(O)cc2Cl)C(F)(F)F)cn1

HCID57421231

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(COc2ccc(C(C)C(O)(c3cnc(C)cn3)C(F)(F)F)c(Cl)c2)c1

HCID46940636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4c391afadd24aeabd587d24f2dbc6cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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