HRID2155001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67164

Thiamorpholine

C4H9NS

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

HCID66941025

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1Nc1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1F)N1CCSCC1

HCID57974199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f719f6c784d4388864e68be8c96a956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:35]1[CH2:36][S:37][CH2:38][CH2:39][NH:40]1.[F:1][c:2]1[c:3]([NH:23][c:24]2[c:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[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:27])[N:40]3[CH2:35][CH2:36][S:37][CH2:38][CH2:39]3)[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