HRID687601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID46192922

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

C6H6N4

HCID58087500

未命名化合物

PRODUCTS

生成物

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

HCID57395014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f2c299236ac4df088f5bf013b1e688c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[Cl:11][c:12]1[cH:13][cH:14][c:15]([NH:22][S:23](=[O:24])(=[O:25])[CH2:26][CH2:27][CH3:28])[c:16]([F:21])[c:17]1[C:18](=[O:19])[OH:20].[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:18]([c:17]1[c:12]([Cl:11])[cH:13][cH:14][c:15]([NH:22][S:23](=[O:24])(=[O:25])[CH2:26][CH2:27][CH3:28])[c:16]1[F:21])=[O:19])[cH:9]2