HRID286414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

结构：CS(=O)(=O)c1ccc(N2CCc3c(OC4CCNCC4)ncnc32)c(F)c1

HCID69064127

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(S(C)(=O)=O)cc2F)CC1

HCID24899748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eaf069f13c8431f8d921ca1ae1d88eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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