HRID830533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID1382041

1-(1H-Imidazol-2-yl)methanamine

C4H7N3

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID57434545

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1nc(NCc2ncc[nH]2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11947900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f35ab183f5c945a68d751efa649e34cd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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