HRID122640

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

HCID61343547

N-(Cyclopentylmethyl)-2,3,4-trifluoroaniline

C12H14F3N

结构：CCOC(=O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2F)s1

HCID86629921

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2F)s1

HCID57668343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bd3269eea9c4aa2b6c5060b8b287c4a
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]([c:16]2[c:17]([F:24])[c:18]([F:23])[c:19]([F:22])[cH:20][cH:21]2)[CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]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]([F:70])[c:71]2[F:72])[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]([c:16]2[c:17]([F:24])[c:18]([F:23])[c:19]([F:22])[cH:20][cH:21]2)[CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[s:11]1)[OH:31]