HRID119158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1NC(=O)Nc1ccccc1C

HCID23512249

未命名化合物

HCID91501869

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(OCC(C)NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c(OC)c1

HCID178469084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec4a76ed197a45dbb0048d498f1aa3c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21]([O:23][c:22]2[c:24]([F:25])[c:26]([F:27])[c:28]([F:29])[c:30]([F:31])[c:32]2[F:33])=[O:34])[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1.[CH3:35][O:36][c:37]1[cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45][cH:46][c:47]1[O:48][CH2:49][CH:50]([CH3:51])[NH2:52].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:23])[NH:52][CH:50]([CH2:49][O:48][c:47]2[c:37]([O:36][CH3:35])[cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45][cH:46]2)[CH3:51])[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1