HRID113800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80599

o-Chlorothiophenol

C6H5ClS

结构：COc1ccccc1SCCCN(C(=O)Nc1ncc(SC(C)(C)C(=O)O)s1)C1CCC(C)CC1

HCID24987103

未命名化合物

HCID57481427

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

C9H14N2O2S2

PRODUCTS

生成物

结构：CC1CCC(N(CCCSc2ccccc2Cl)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID24989696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87ec8aace3ae48679f83b4620ca569cf
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

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