HRID1113035

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

HCID46192922

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

C6H6N4

HCID46192923

2,6-Difluoro-3-[(propane-1-sulfonyl)amino]benzoic acid

C10H11F2NO4S

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F

HCID44199425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003468a02ee04b29bda6e47742f5ecf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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