HRID304930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12696184

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC(Nc2ncc(C=O)cc2Cl)C1

HCID178451974

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(F)=Cc1cnc(NC2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1

HCID178472318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-924ca7d2856c4465962e02730524ad55
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

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