HRID149533

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

HCID3159617

1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

C10H7FN2O2

HCID17822734

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1C#N

HCID9930402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4960d63a38242909d395620ca61b64e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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