HRID1212762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID10353967

2-(Bromomethyl)-1-fluoro-4-nitrobenzene

C7H5BrFNO2

结构：CCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2COC(=O)C(C)(C)C

HCID58739266

未命名化合物

PRODUCTS

生成物

结构：CCCCn1c(=O)n(Cc2cc([N+](=O)[O-])ccc2F)c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2COC(=O)C(C)(C)C

HCID58739230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a817be1ef86413493c8f1d5c1e99eb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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