HRID2144078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID66584007

未命名化合物

HCID86670360

未命名化合物

PRODUCTS

生成物

结构：CC#CC1CN(S(=O)(=O)c2cccs2)CCN1c1ncc(C(C)(O)C(F)(F)F)cn1

HCID66582439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19069e7039d947399a743f5436f0b549
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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