HRID2124073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID44223694

3-Methoxy-1H-pyrazolo[3,4-b]pyridin-5-amine

C7H8N4O

HCID58095367

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl

HCID56682202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90e98fd938264c1497c65c53910f3ffb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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