HRID306191

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

HCID5230056

3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid

C11H10N2O2

HCID17822734

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(OCC(C)(C)C)c(C#N)c1

HCID9821664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27b0b06325c34385b68cd91e94313004
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[NH2:16][c:17]1[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[c:21]([C:22]#[N:23])[cH:24]1.[OH2:48].[P:38]([C:39]#[N:40])([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47].[c:1]1(-[n:7]2[n:8][c:9]([CH3:15])[c:10]([C:12](=[O:13])[OH:14])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][c:9]([CH3:15])[c:10]([C:12](=[O:14])[NH:16][c:17]3[cH:18][cH:19][c:20]([O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[c:21]([C:22]#[N:23])[cH:24]3)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1