HRID114617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8257

2-Methyl-3-buten-2-ol

C5H10O

结构：CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(-c2ccnc(Cl)n2)s1

HCID44516823

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CCc1nccc(-c2sc(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1

HCID57990081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7156922061ce47d29fc7f488fd92aec7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:36][C:37]([CH3:38])([CH:39]=[CH2:40])[OH:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:35])[c:19]([NH:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]([F:34])[cH:29][cH:30][c:31]([F:33])[cH:32]4)[cH:20][cH:21][cH:22]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1>>[c:2]1([CH2:40][CH2:39][C:37]([CH3:36])([CH3:38])[OH:41])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:35])[c:19]([NH:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]([F:34])[cH:29][cH:30][c:31]([F:33])[cH:32]4)[cH:20][cH:21][cH:22]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1