HRID1211671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID26297

2-Chloro-2-oxoethyl acetate

C4H5ClO3

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCNCC1

HCID57979867

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCN(C(=O)COC(C)=O)CC1

HCID69048912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bb0baeca40242a386e6652e28dc065e
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

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