HRID102003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777683

3-[3-(Trifluoromethyl)phenyl]propanoic acid

C10H9F3O2

HCID21455623

Ethyl [(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

C7H10N2O2S2

结构：CC1CCC(N(CCCc2cccc(Cl)c2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

HCID24991170

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(N(CCCc2cccc(C(F)(F)F)c2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

HCID24991168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4be6d3f5c10b414e815965eab34deae7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:47]([O:48][C:49](=[O:50])[CH2:51][S:52][c:53]1[s:54][c:55]([NH2:56])[n:57][cH:58]1)[CH3:59].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:5][cH:6][cH:7]1.[F:32][C:33]([c:34]1[cH:35][c:36]([CH2:37][CH2:38][C:39]([OH:40])=[O:41])[cH:42][cH:43][cH:44]1)([F:45])[F:46]>>[c:2]1([C:33]([F:32])([F:45])[F:46])[cH:3][c:4]([CH2:8][CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:5][cH:6][cH:7]1