HRID119568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID70370

2,6-Di-tert-butyl-4-mercaptophenol

C14H22OS

HCID10333298

tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

C14H23NO4

PRODUCTS

生成物

结构：CCOC(=O)CC1(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1

HCID86635421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16f9a420ad8f453fb1cc4d3f2fb78fb5
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

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]1[CH2:25][CH2:26][C:27](=[CH:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:28][CH2:29]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:16])[c:7]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:8][c:9]([SH:11])[cH:10]1.[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:16])[c:7]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:8][c:9]([S:11][C:27]2([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:26][CH2:25][N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:29][CH2:28]2)[cH:10]1