HRID1203209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID517981

Methyl 3-(bromomethyl)benzoate

C9H9BrO2

结构：Oc1cccc(Cc2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID66913879

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(COc2cccc(Cc3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1

HCID66914384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40dbe6695ba14ade9ac95b1962596492
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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