HRID153543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID345278

4-(Morpholin-4-yl)benzoic acid

C11H13NO3

结构：CCOC(=O)n1nc(N)c2cc(C(=O)OC(C)(C)C)sc21

HCID57737272

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2cc(C(=O)OC(C)(C)C)sc21

HCID66784763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ade276bc4034b00a072253d78cedc8a
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

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