HRID142577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID18700443

未命名化合物

结构：FC(F)(F)COCc1nc(C2CCNCC2)oc1-c1ccccc1

HCID18700450

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccccc4)o3)CC2)cc1S(N)(=O)=O

HCID18700467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e47dacf07c45428ebfd694bc04379d
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

[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:25][CH2:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([O:38][CH3:39])[c:32]([S:34](=[O:35])(=[O:36])[NH2:37])[cH:33]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[c:1]1(-[c:7]2[c:8]([CH2:18][O:19][CH2:20][C:21]([F:22])([F:23])[F:24])[n:9][c:10]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8]([CH2:18][O:19][CH2:20][C:21]([F:22])([F:23])[F:24])[n:9][c:10]([CH:12]3[CH2:13][CH2:14][N:15]([CH2:26][CH2:27][c:28]4[cH:29][cH:30][c:31]([O:38][CH3:39])[c:32]([S:34](=[O:35])(=[O:36])[NH2:37])[cH:33]4)[CH2:16][CH2:17]3)[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1