HRID1137419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID17822734

未命名化合物

HCID22227903

1-tert-Butyl-5-methyl-1H-pyrazole-4-carboxylic acid

C9H14N2O2

PRODUCTS

产物

反应SMILES：Cc1c(C(=O)Nc2ccc(OCC(C)(C)C)c(C#N)c2)cnn1C(C)(C)C

HCID9820629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6e5f8cc7a13b4bcc85ce53e7dfd1382b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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