HRID1209925

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

HCID23511785

未命名化合物

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

HCID23512249

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)nc1

HCID23512544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c35655cab2e4695a6dacb6b2a5d3de6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[NH:35]1[CH:36]([CH2:40][O:41][c:42]2[n:43][cH:44][c:45]([C:48](=[O:49])[O:50][CH3:51])[cH:46][cH:47]2)[CH2:37][CH2:38][CH2:39]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:23])[N:35]2[CH:36]([CH2:40][O:41][c:42]3[n:43][cH:44][c:45]([C:48](=[O:49])[O:50][CH3:51])[cH:46][cH:47]3)[CH2:37][CH2:38][CH2:39]2)[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