HRID2128884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2857447

未命名化合物

HCID58972821

1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C8H7F3N2O2

PRODUCTS

生成物

结构：O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1C(F)(F)F

HCID25013857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06b903c6a8d545a4b1d3c422e2b71983
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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