HRID1559289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID57826389

5-chloro-4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid

C9H7ClN2O2S

HCID76708923

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1cc(C(=O)NC(Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)sc1Cl

HCID178481795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c626cd708846ddbb6b561afb622645
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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