HRID186850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID12052

Silane, triethyl-

C6H16Si

HCID24823

Ozone

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：C=Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

HCID86653322

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2Cc3cc(F)c([N+](=O)[O-])cc3C2=O)CC1

HCID67168225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c274c12d434012840e415e54138e73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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