HRID1554693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID109000

2-Chloro-4-fluorobenzonitrile

C7H3ClFN

结构：CC(C)(C)OC(=O)N(CCc1ccc(O)cc1)Cc1ccccc1

HCID59717863

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CCc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1)Cc1ccccc1

HCID59729914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90a8f444bda543f086c9f973183434ba
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]1)[CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24].[Cl:31][c:32]1[c:33]([C:34]#[N:35])[cH:36][cH:37][c:38]([F:40])[cH:39]1.[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][c:38]2[cH:37][cH:36][c:33]([C:34]#[N:35])[c:32]([Cl:31])[cH:39]2)[cH:14][cH:15]1)[CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24]