HRID303648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID123053

Benzene, 1,2-difluoro-4-nitro-

C6H3F2NO2

HCID166653

Hydride

H-

结构：COc1ccc(Cn2ncc3c(NCCN4CCOCC4)ccnc32)cc1

HCID68514419

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ncc3c(N(CCN4CCOCC4)c4ccc([N+](=O)[O-])cc4F)ccnc32)cc1

HCID68515035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f27fc22d49f4792ab212d40a2dc56e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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