HRID89149

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

HCID7537619

1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid

C11H10N2O2

HCID17822734

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(=O)Nc2ccc(OCC(C)(C)C)c(C#N)c2)cc1-c1ccccc1

HCID22228176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2a7ad400b884edd8da37836459e1a1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][n:2]1[n:3][c:4]([C:13](=[O:14])[OH:15])[cH:5][c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[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]>>[CH3:1][n:2]1[n:3][c:4]([C:13](=[O:15])[NH:16][c:17]2[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]2)[cH:5][c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1