HRID312972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1

HCID12069489

未命名化合物

HCID14341208

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21

HCID178484291

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1oncc1NC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)cc1

HCID59331273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a5e7552e2bc4122bcd48aa341f6f9fd
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

[CH3:37][N:38]([C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]1[c:44]2[c:45]([n:46][cH:47][cH:48][cH:49]2)[N+:50]([O-:51])=[N:52]1)[CH3:53].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[CH:55]([CH3:56])([CH3:57])[c:58]1[c:59]([NH2:63])[cH:60][n:61][o:62]1.[ClH:54].[OH2:69].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:63][c:59]2[c:58]([CH:55]([CH3:56])[CH3:57])[o:62][n:61][cH:60]2)[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1