HRID1209702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76888

1,3-Propanediamine, N-(1-methylethyl)-

C6H16N2

结构：Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1-c1nc(S(C)=O)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID11950095

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1-c1nc(NCCCNC(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID24785469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f07ecd3bd9274013b8fbaebc4d79d98e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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