HRID117896

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

HCID67088850

未命名化合物

PRODUCTS

生成物

结构：CCCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F

HCID67088876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7dbb39a18a549c2ac30093c62b696be
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

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