HRID700871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1

HCID57989776

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1

HCID57989790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5345d76e409744a09e66eec0ee4e1afc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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