HRID297380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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

HCID67052502

未命名化合物

PRODUCTS

生成物

结构：CCN(c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F)S(=O)(=O)NC

HCID67088892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95fd072b0d304cff8469addebeef4a81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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