HRID2140660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID21828700

tert-Butyl azetidine-3-carboxylate

C8H15NO2

结构：FC(F)(F)c1c(-c2ccccn2)noc1-c1nc(-c2ccc(CBr)cc2)no1

HCID58062842

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1

HCID58062837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c343c6f31b74db29f6e5eb3124dc8df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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