HRID116821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID412889

2-Amino-4'-methoxyacetophenone

C9H11NO2

HCID601880

3-(Methoxycarbonyl)benzoic acid

C9H8O4

PRODUCTS

生成物

结构：COC(=O)c1cccc(C(=O)NCC(=O)c2ccc(OC)cc2)c1

HCID58804856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1133925c92ae43ada493cd98d84eb9c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:14][CH2:15][N:16]=[C:17]=[N:18][CH2:19][CH2:20][CH2:21][N:22]([CH3:23])[CH3:24].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)=[O:13].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[ClH:25].[ClH:36].[NH2:37][CH2:38][C:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]1.[OH2:63].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:37][CH2:38][C:39](=[O:40])[c:41]2[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]2)[cH:10][cH:11][cH:12]1)=[O:13]