HRID176303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6184

Hexanal

C6H12O

HCID7604

3-Aminoacetanilide

C8H10N2O

HCID21455623

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

C7H10N2O2S2

结构：O=C(O)Cc1csc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2)n1

HCID57668246

未命名化合物

结构：CCCCCCN(C(=O)Nc1ncc(SCC(=O)OCC)s1)c1cccc(NC(C)=O)c1

HCID86629908

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(C(=O)Nc1ncc(SCC(=O)O)s1)c1cccc(NC(C)=O)c1

HCID57668423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b337e86c79994412bf453f5d3a5b3cbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:22]2[cH:23][c:24]([NH:28][C:29]([CH3:30])=[O:31])[cH:25][cH:26][cH:27]2)[s:11]1)=[O:32].[CH2:78]([O:79][C:80](=[O:81])[CH2:82][S:83][c:84]1[s:85][c:86]([NH2:87])[n:88][cH:89]1)[CH3:90].[CH:33]1([CH2:34][N:35]([c:36]2[cH:37][cH:38][c:39]([F:40])[c:41]([F:42])[cH:43]2)[C:44](=[O:45])[NH:46][c:47]2[s:48][cH:49][c:50]([CH2:51][C:52]([OH:53])=[O:54])[n:55]2)[CH2:56][CH2:57][CH2:58][CH2:59]1.[CH:71](=[O:72])[CH2:73][CH2:74][CH2:75][CH2:76][CH3:77].[NH2:60][c:61]1[cH:62][c:63]([NH:64][C:65](=[O:66])[CH3:67])[cH:68][cH:69][cH:70]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][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:22]2[cH:23][c:24]([NH:28][C:29]([CH3:30])=[O:31])[cH:25][cH:26][cH:27]2)[s:11]1)[OH:32]