HRID286165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccn(S(=O)(=O)c2ccc(Br)cc2)c1

HCID68524491

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)Nc4ccccc4NC(=O)OC(C)(C)C)c3)cc2)cn1

HCID67095605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e17e4671ba0646c9850664033adf4cdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15]([CH:16]=[CH:17][c:18]2[cH:19][n:20]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([Br:32])[cH:30][cH:31]3)[cH:21][cH:22]2)=[O:33])[cH:10][cH:11][cH:12][cH:13]1)=[O:34].[CH3:35][n:36]1[n:37][cH:38][c:39]([B:41]2[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]2)[cH:40]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15]([CH:16]=[CH:17][c:18]2[cH:19][n:20]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29](-[c:39]4[cH:38][n:37][n:36]([CH3:35])[cH:40]4)[cH:30][cH:31]3)[cH:21][cH:22]2)=[O:33])[cH:10][cH:11][cH:12][cH:13]1)=[O:34]