HRID157225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7852

Propylamine

C3H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(OCCCCC(=O)O)ccc43)CC2C)cc1OC

HCID22339261

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)CCCCOc1ccc2c(c1)CCCN2C1CC(C)N(C(=O)c2ccc(OC)c(OC)c2)c2ccccc21

HCID22339223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78093320388f467fa75c8d2551321ce8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH3:36])[CH2:10][CH:11]([N:18]3[CH2:19][CH2:20][CH2:21][c:22]4[cH:23][c:24]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:25][cH:26][c:27]43)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[cH:37][cH:38][c:39]1[O:40][CH3:41].[CH3:53][CH2:54][CH2:55][NH2:56].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:42][C:43]([C:44]([Cl:45])=[O:46])=[O:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH3:36])[CH2:10][CH:11]([N:18]3[CH2:19][CH2:20][CH2:21][c:22]4[cH:23][c:24]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[NH:56][CH2:55][CH2:54][CH3:53])[cH:25][cH:26][c:27]43)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[cH:37][cH:38][c:39]1[O:40][CH3:41]