HRID1151061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2799322

1-Benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride

C15H17ClN2O

HCID45140141

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(=O)Nc2cccc(Oc3ccnc4[nH]c(=O)[nH]c34)c2)n(Cc2ccccc2)n1

HCID45142431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a42a024c460493e89649d9041ceb1ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[n:26]1[n:27][c:28]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:29][c:30]1[C:31](=[O:32])[Cl:33].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]3[c:8]([n:9][cH:10][cH:11]2)[nH:12][c:13](=[O:15])[nH:14]3)[cH:16][cH:17][cH:18]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]3[c:8]([n:9][cH:10][cH:11]2)[nH:12][c:13](=[O:15])[nH:14]3)[cH:16][cH:17][cH:18]1)[C:31]([c:30]1[n:26]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:27][c:28]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:29]1)=[O:32]