HRID687468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID86670348

未命名化合物

结构：CC(C)CN(CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1)S(C)(=O)=O

HCID178448998

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O

HCID178448997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-987ab14b601a41daa5b966f34ae7a0dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:28][c:29]1[n:30][cH:31][c:32]([C:35]([C:36]([F:37])([F:38])[F:39])([C:40]([F:41])([F:42])[F:43])[OH:44])[cH:33][n:34]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH2:24][CH:25]([CH3:26])[CH3:27])[NH:15][CH2:16][CH2:17]2)[s:8]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[CH3:23])[CH2:24][CH:25]([CH3:26])[CH3:27])[N:15]([c:29]3[n:30][cH:31][c:32]([C:35]([C:36]([F:37])([F:38])[F:39])([C:40]([F:41])([F:42])[F:43])[OH:44])[cH:33][n:34]3)[CH2:16][CH2:17]2)[s:8]1