HRID2313319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID95102

1,1-Dimethylethanolamine

C4H11NO

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)O)cc2n1Cc1ccccc1

HCID25060003

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)NCC(C)(C)O)cc2n1Cc1ccccc1

HCID69226164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0284610a74bf441b9d293ffb703678ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:32]([CH3:33])[CH3:34])[c:10]([C:20]([NH:21][CH2:22][c:23]2[cH:24][c:25]([F:30])[c:26]([F:29])[cH:27][cH:28]2)=[O:31])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[OH:19])[cH:15][c:16]12.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[NH2:44][CH2:45][C:46]([CH3:47])([OH:48])[CH3:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:32]([CH3:33])[CH3:34])[c:10]([C:20]([NH:21][CH2:22][c:23]2[cH:24][c:25]([F:30])[c:26]([F:29])[cH:27][cH:28]2)=[O:31])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:19])[NH:44][CH2:45][C:46]([CH3:47])([OH:48])[CH3:49])[cH:15][c:16]12