HRID303212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N(CCOc1cc(Cl)cc(C(=O)O)c1)c1ccncc1

HCID18348849

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)c1cc(Cl)cc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1)C(C)C

HCID53659675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea2ee8e1810c43f5ba96018fb3fbbcb6
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

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