HRID2341735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC(C)(C)C)CC1

HCID22017479

未命名化合物

HCID178524629

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(O)n(-c3cccc(F)c3)n2)CC1

HCID178473375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf4a8f38a33441d7987022f4a96d1967
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([C:28]([CH:29]([CH2:30][CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH2:39])=[O:40])[CH2:26][CH2:27]1.[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[F:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([C:14](=[O:15])[OH:16])[cH:11][c:12]2[OH:13])[cH:5][cH:6][cH:7]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[F:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([C:14](=[O:16])[NH:39][CH:29]([C:28]([N:25]3[CH2:24][CH2:23][N:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[CH2:27][CH2:26]3)=[O:40])[CH2:30][CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:11][c:12]2[OH:13])[cH:5][cH:6][cH:7]1