HRID174124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10352000

2-indan-2-yl-ethanol

C11H14O

结构：CC1CCC(N(CCCCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID24987104

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(CCC2Cc3ccccc3C2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID24987836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad99a18ba97247b8b447e5f58670bc29
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

[CH2:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[CH2:41][CH:42]1[CH2:43][CH2:44][OH:45].[CH2:46]([O:47][C:48](=[O:49])[C:50]([S:51][c:52]1[s:53][c:54]([NH2:55])[n:56][cH:57]1)([CH3:58])[CH3:59])[CH3:60].[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:6])[S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[N:16]([CH2:17][CH2:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH:27]2[CH2:28][CH2:29][CH:30]([CH3:33])[CH2:31][CH2:32]2)[s:12]1>>[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:6])[S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[N:16]([CH2:17][CH2:18][CH:19]2[CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[CH2:34]2)[CH:27]2[CH2:28][CH2:29][CH:30]([CH3:33])[CH2:31][CH2:32]2)[s:12]1