HRID208171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4270263

1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

C11H9FN2O2

HCID21942366

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)Nc2ccc(N(CCO)CCO)c(C#N)c2)cnn1-c1ccc(F)cc1

HCID22228135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9d16839ecbc46fb9751029877328f5f
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

[C:54](=[O:55])([O-:56])[O-:57].[CH2:43]([N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52])[CH3:53].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:60]([O:61][CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[c:12]2[CH3:13])[cH:6][cH:7]1.[K+:58].[K+:59].[NH2:17][c:18]1[cH:19][cH:20][c:21]([N:26]([CH2:27][CH2:28][OH:29])[CH2:30][CH2:31][OH:32])[c:22]([C:23]#[N:24])[cH:25]1.[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([N:26]([CH2:27][CH2:28][OH:29])[CH2:30][CH2:31][OH:32])[c:22]([C:23]#[N:24])[cH:25]3)[c:12]2[CH3:13])[cH:6][cH:7]1