HRID306201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7604

3-Aminoacetanilide

C8H10N2O

HCID31260

Isopentyl alcohol

C5H12O

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：CCOC(=O)CSc1cnc(NC(=O)N(CCC(C)C)c2cccc(NC(C)=O)c2)s1

HCID86629907

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(N(CCC(C)C)C(=O)Nc2ncc(SCC(=O)O)s2)c1

HCID57668406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0edfd73240a04dbaaa27bc801246854f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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