HRID1542416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1

HCID23512272

未命名化合物

HCID73241624

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C=CC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1

HCID91427980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b0420d71f14fe5ae8f7da186d5afb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:19][c:20]1[c:21]([NH:26][C:27]([NH:28][c:29]2[cH:30][cH:31][c:32]([CH2:35][C:36](=[O:37])[O:38][c:39]3[c:40]([F:41])[c:42]([F:43])[c:44]([F:45])[c:46]([F:47])[c:48]3[F:49])[cH:33][cH:34]2)=[O:50])[cH:22][cH:23][cH:24][cH:25]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[NH:1]1[CH:2]([CH:6]=[CH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18]2)[CH2:3][CH2:4][CH2:5]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[N:1]1([C:36]([CH2:35][c:32]2[cH:31][cH:30][c:29]([NH:28][C:27]([NH:26][c:21]3[c:20]([CH3:19])[cH:25][cH:24][cH:23][cH:22]3)=[O:50])[cH:34][cH:33]2)=[O:37])[CH:2]([CH:6]=[CH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18]2)[CH2:3][CH2:4][CH2:5]1