HRID1136717

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

HCID23512157

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)c1cc(Cl)c(OCC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c(Cl)c1

HCID23512540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3627abf75f47496f8be7229fb4e5e8b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl:35][c:36]1[cH:37][c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][c:44]([Cl:53])[c:45]1[O:46][CH2:47][CH:48]1[NH:49][CH2:50][CH2:51][CH2:52]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:23])[N:49]2[CH:48]([CH2:47][O:46][c:45]3[c:36]([Cl:35])[cH:37][c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][c:44]3[Cl:53])[CH2:52][CH2:51][CH2:50]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