HRID107809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21455623

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

C7H10N2O2S2

结构：CS(=O)(=O)c1ccc(N(CC2CCCC2)C(=O)Nc2nc(CC(=O)O)cs2)cc1

HCID57668194

未命名化合物

HCID66962302

N-(Cyclopentylmethyl)-4-fluoro-3-methoxyaniline

C13H18FNO

结构：CCOC(=O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(OC)c2)s1

HCID86629942

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N(CC2CCCC2)C(=O)Nc2ncc(SCC(=O)O)s2)ccc1F

HCID57668349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a64f9613007a4a5383699c1e734d50a9
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][c:24]([O:29][CH3:30])[c:25]([F:28])[cH:26][cH:27]2)[s:11]1)=[O:31].[CH2:77]([O:78][C:79](=[O:80])[CH2:81][S:82][c:83]1[s:84][c:85]([NH2:86])[n:87][cH:88]1)[CH3:89].[CH:32]1([CH2:33][N:34]([c:35]2[cH:36][cH:37][c:38]([S:39]([CH3:40])(=[O:41])=[O:42])[cH:43][cH:44]2)[C:45](=[O:46])[NH:47][c:48]2[s:49][cH:50][c:51]([CH2:52][C:53]([OH:54])=[O:55])[n:56]2)[CH2:57][CH2:58][CH2:59][CH2:60]1.[CH:61]1([CH2:62][NH:63][c:64]2[cH:65][cH:66][c:67]([F:68])[c:69]([O:70][CH3:71])[cH:72]2)[CH2:73][CH2:74][CH2:75][CH2:76]1>>[O:3]=[C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][c:24]([O:29][CH3:30])[c:25]([F:28])[cH:26][cH:27]2)[s:11]1)[OH:31]