HRID1565072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID22227932

未命名化合物

HCID22228057

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(CC(C)C)c(C#N)c1

HCID22228075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2655cd0d18d4459eac211324b9763bc8
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

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([CH3:16])[c:11]([C:13](=[O:14])[OH:15])[cH:12]2)[cH:6][cH:7]1.[NH2:17][c:18]1[cH:19][cH:20][c:21]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:22]([C:23]#[N:24])[cH:25]1.[OH2:47].[P:37]([C:38]#[N:39])([O:40][CH2:41][CH3:42])([O:43][CH2:44][CH3:45])=[O:46]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([CH3:16])[c:11]([C:13](=[O:15])[NH:17][c:18]3[cH:19][cH:20][c:21]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:22]([C:23]#[N:24])[cH:25]3)[cH:12]2)[cH:6][cH:7]1