HRID2332155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78302

N,N,N'-Trimethylpropane-1,3-diamine

C6H16N2

结构：Cc1ccc(C(=O)Nc2nccs2)cc1-c1nc(S(C)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID57434549

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2nccs2)cc1-c1nc(N(C)CCCN(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59212736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4557b17af70243d0acd4b96ddaee5d9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:38][N:39]([CH2:40][CH2:41][CH2:42][NH:43][CH3:44])[CH3:45].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:37])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:34]([CH3:35])=[O:36])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[s:26][cH:27][cH:28][n:29]3)[cH:30][cH:31][c:32]2[CH3:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:37])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([N:43]([CH2:42][CH2:41][CH2:40][N:39]([CH3:38])[CH3:45])[CH3:44])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[s:26][cH:27][cH:28][n:29]3)[cH:30][cH:31][c:32]2[CH3:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1