HRID200466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11647

N-Methylhydroxylamine

CH5NO

结构：CC1(C)OCC(COCc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)O)cc23)O1

HCID59855805

未命名化合物

PRODUCTS

生成物

结构：CN(O)C(=O)c1cc2c(COCC3COC(C)(C)O3)cn(Cc3ccc(F)cc3)c2cn1

HCID59855816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed70583e124d48ef997519b0656cb8f9
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

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