HRID283480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID23511825

未命名化合物

HCID178483883

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC(C)N(C)C(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)c(Cl)c1

HCID178498270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-151f5b4951f14188ab802816cf594ecb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:22])[OH:23])[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1.[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[Cl:24][c:25]1[cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33][c:34]1[O:35][CH2:36][CH:37]([CH3:38])[NH:39][CH3:40].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:23])[N:39]([CH:37]([CH2:36][O:35][c:34]2[c:25]([Cl:24])[cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[CH3:38])[CH3:40])[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1