HRID669155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID21936070

tert-Butyl 4-{2-[(4-methylbenzene-1-sulfonyl)oxy]ethyl}piperidine-1-carboxylate

C19H29NO5S

HCID135800727

2,3-Dihydro-7-nitro-1H-imidazo[1,2-b]pyrazole

C5H6N4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CCN2CCn3ncc([N+](=O)[O-])c32)CC1

HCID58464885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a67d597f52e412e94461385e9e082fa
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

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[H-:1].[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][n:8][n:9]2[c:10]1[NH:11][CH2:12][CH2:13]2.[Na+:2].[OH2:40].[S:14]([O:15][CH2:25][CH2:26][CH:27]1[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]1)([c:16]1[cH:17][cH:18][c:19]([CH3:20])[cH:21][cH:22]1)(=[O:23])=[O:24]>>[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][n:8][n:9]2[c:10]1[N:11]([CH2:25][CH2:26][CH:27]1[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]1)[CH2:12][CH2:13]2