HRID135572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

HCID57826455

4-(1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic Acid

C9H8N2O2S

结构：NC(Cc1c(F)cccc1F)CN1C(=O)c2ccccc2C1=O

HCID69102186

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1csc(C(=O)NC(Cc2c(F)cccc2F)CN2C(=O)c3ccccc3C2=O)c1

HCID178481806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed704e5614bf4d45b8ca13194345e99b
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

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