HRID2161056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F

HCID142176

N-Phenyltrifluoromethanesulfonimide

C8H5F6NO4S2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID166653

Hydride

H-

HCID178490904

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ncc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc32)cc1

HCID68758802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db247a9f87c04563b68baa78a805732d
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

[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][n:10]2[n:11][cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][c:18]3[OH:19])[cH:20][cH:21]1.[Cl-:56].[F:22][C:23]([F:24])([F:25])[S:26]([N:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])(=[O:41])=[O:42].[H-:2].[N:43]1([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[NH4+:57].[Na+:1].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][n:10]2[n:11][cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][c:18]3[N:46]2[CH2:45][CH2:44][N:43]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:48][CH2:47]2)[cH:20][cH:21]1