HRID214558

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

HCID17822734

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(OCC(C)(C)C)c(C#N)c1

HCID9909290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f9e468aa12246228927acd99962a36a
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

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[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]([O:26][CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:22]([C:23]#[N:24])[cH:25]1.[OH2:49].[P:39]([C:40]#[N:41])([O:42][CH2:43][CH3:44])([O:45][CH2:46][CH3:47])=[O:48]>>[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]([O:26][CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:22]([C:23]#[N:24])[cH:25]3)[cH:12]2)[cH:6][cH:7]1