HRID665372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID69379

Ethyl nitroacetate

C4H7NO4

结构：CC1CN(C(=O)COc2ccc(Cl)cc2CCl)C(C)CN1Cc1ccc(F)cc1

HCID21973393

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C)[N+](=O)[O-]

HCID178470945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97e4853ce8bf4529addd81d0e17f208b
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

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