HRID155772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID87697

2-(Methylthio)ethylamine

C3H9NS

结构：CCOC(=O)c1ccccc1Nc1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1F

HCID66941025

未命名化合物

PRODUCTS

生成物

结构：CSCCNC(=O)c1ccccc1Nc1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1F

HCID57974138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3969f66a8fde41618242c6a676530e4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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