HRID1568789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID643160

1-methyl-1H-pyrazole-4-carboxylic acid

C5H6N2O2

结构：Nc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID21891737

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)Nc2ccc(Cc3nc4c([nH]3)c(=O)n(Cc3ccccc3F)c(=O)n4CC3CC3)cc2)cn1

HCID10414558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d82e5526950b4d1682c28a04fc1fd3df
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

[CH3:32][n:33]1[n:34][cH:35][c:36]([C:38](=[O:39])[OH:40])[cH:37]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH2:26][CH:27]4[CH2:28][CH2:29]4)[c:11](=[O:25])[n:12]([CH2:17][c:18]4[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]4)[c:13](=[O:16])[c:14]3[nH:15]2)[cH:30][cH:31]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH2:26][CH:27]4[CH2:28][CH2:29]4)[c:11](=[O:25])[n:12]([CH2:17][c:18]4[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]4)[c:13](=[O:16])[c:14]3[nH:15]2)[cH:30][cH:31]1)[C:38]([c:36]1[cH:35][n:34][n:33]([CH3:32])[cH:37]1)=[O:39]