HRID1240313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nc(N)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

HCID57473749

未命名化合物

结构：CCOC(=O)CCCNC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1

HCID86598431

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCNC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1

HCID86598434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f58a4cbe5d7d4773a33991ada36bc133
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][NH:8][C:9](=[O:10])[NH:11][c:12]1[s:13][c:14](-[c:18]2[cH:19][c:20]([F:28])[c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]2)[c:15]([CH3:17])[n:16]1)=[O:29].[CH3:30][S:31]([c:32]1[cH:33][cH:34][c:35](-[c:36]2[s:37][c:38]([NH2:39])[n:40][c:41]2[CH3:42])[cH:43][c:44]1[C:47]([F:48])([F:49])[F:50])(=[O:45])=[O:46]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][NH:8][C:9](=[O:10])[NH:11][c:12]1[s:13][c:14](-[c:18]2[cH:19][c:20]([C:47]([F:48])([F:49])[F:50])[c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]2)[c:15]([CH3:17])[n:16]1)=[O:29]