HRID1124342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6558

Isobutylamine

C4H11N

结构：CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(Cl)n2)s1

HCID57989879

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNc1nccc(-c2sc(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)n1

HCID57990060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f59c638bd174b72900a6f733300563c
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

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