HRID207503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID8028

Tetrahydrofuran

C4H8O

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(NCCCN(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F

HCID24785213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4551b30146ec480ea748957e20c66209
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:40][N:41]([CH2:42][CH2:43][CH2:44][NH2:45])[CH3:46].[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:45][CH2:44][CH2:43][CH2:42][N:41]([CH3:40])[CH3:46])[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