HRID91546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID13200206

未命名化合物

结构：Cc1ccc(S(=O)(=O)OC2CCCN(C(=O)OC(C)(C)C)C2)cc1

HCID20468243

tert-Butyl 3-[(4-methylbenzene-1-sulfonyl)oxy]piperidine-1-carboxylate

C17H25NO5S

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(Sc2nc3ccccc3cc2-c2ccccc2)C1

HCID53919469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c1263d0541b4fc3811fad72b53f9f53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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