HRID1205883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

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

HCID86636578

未命名化合物

PRODUCTS

生成物

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

HCID57989971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e92deb7d43344cb87f11d3cac13382a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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