HRID87820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3ccc(F)cc3F)c2)c(-c2ccnc(Cl)n2)s1

HCID57989690

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3ccc(F)cc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1

HCID57989880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c42586ec9462489db425ad8097d0824c
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

[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][NH2:7].[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:8][c:9]1[n:10][cH:11][cH:12][c:13](-[c:15]2[c:16](-[c:23]3[cH:24][cH:25][c:26]([F:41])[c:27]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][c:36]([F:39])[cH:37][cH:38]4)[cH:28]3)[n:17][c:18]([CH:20]([CH3:21])[CH3:22])[s:19]2)[n:14]1>>[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][NH:7][c:9]1[n:10][cH:11][cH:12][c:13](-[c:15]2[c:16](-[c:23]3[cH:24][cH:25][c:26]([F:41])[c:27]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][c:36]([F:39])[cH:37][cH:38]4)[cH:28]3)[n:17][c:18]([CH:20]([CH3:21])[CH3:22])[s:19]2)[n:14]1