HRID287349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID587203

3,4-Difluorobenzonitrile

C7H3F2N

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57421264

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(Oc2ccc(C#N)cc2F)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID86645954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50e3175b84c4495daa1e1c2654c4d434
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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