HRID2337846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID75065

Methyl 5-(chloromethyl)-2-furoate

C7H7ClO3

结构：CC1=C(C(=O)C2CC2)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

HCID59684850

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C(C(=O)C3CC3)C2c2ccc(C#N)cc2)o1

HCID59684838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0de6b90fddd48f388e87f519ba0166b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][OH:55].[CH:1]1([C:4](=[O:5])[C:6]2=[C:11]([CH3:12])[N:10]([c:13]3[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[C:9](=[O:23])[NH:8][CH:7]2[c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH2:2][CH2:3]1.[Cl:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([C:45](=[O:46])[O:47][CH3:48])[o:44]1.[K+:36].[K+:37]>>[CH:1]1([C:4](=[O:5])[C:6]2=[C:11]([CH3:12])[N:10]([c:13]3[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[C:9](=[O:23])[N:8]([CH2:39][c:40]3[cH:41][cH:42][c:43]([C:45](=[O:46])[O:47][CH3:48])[o:44]3)[CH:7]2[c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH2:2][CH2:3]1