HRID1149682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCNC(CN(c2ccccc2)S(C)(=O)=O)C1

HCID77891637

未命名化合物

HCID86670348

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)C(CN(c2ccccc2)S(C)(=O)=O)C1

HCID123343268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7bf0318da914af1b5923d74ea98461e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][CH:13]1[CH2:14][N:15]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:16][CH2:17][NH:18]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:26][c:27]1[n:28][cH:29][c:30]([C:33]([C:34]([F:35])([F:36])[F:37])([C:38]([F:39])([F:40])[F:41])[OH:42])[cH:31][n:32]1>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][CH:13]1[CH2:14][N:15]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:16][CH2:17][N:18]1[c:27]1[n:28][cH:29][c:30]([C:33]([C:34]([F:35])([F:36])[F:37])([C:38]([F:39])([F:40])[F:41])[OH:42])[cH:31][n:32]1