HRID150614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6558

Isobutylamine

C4H11N

结构：COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc(C(C)C)sc2-c2ccnc(Cl)n2)c1

HCID57989934

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc(C(C)C)sc2-c2ccnc(NCC(C)C)n2)c1

HCID57989887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eac483de1bdf469ba9e78204330ffea0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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