HRID2321379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2760732

2-(Trifluoromethoxy)thiophenol

C7H5F3OS

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(CCCSc2ccccc2OC(F)(F)F)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID24990446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ef362439c094db19e9a29ed70342832
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:48]([O:49][C:50](=[O:51])[C:52]([S:53][c:54]1[s:55][c:56]([NH2:57])[n:58][cH:59]1)([CH3:60])[CH3:61])[CH3:62].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[S:9][CH2:10][CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]1[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]1)=[O:28])[CH:29]1[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]1.[F:36][C:37]([O:38][c:39]1[c:40]([SH:45])[cH:41][cH:42][cH:43][cH:44]1)([F:46])[F:47]>>[CH2:10]([CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]1[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]1)=[O:28])[CH:29]1[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]1)[S:45][c:40]1[c:39]([O:38][C:37]([F:36])([F:46])[F:47])[cH:44][cH:43][cH:42][cH:41]1