HRID146445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70370

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

C14H22OS

HCID13260503

6-(4-Chlorobutoxy)-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

C14H18ClNO3

PRODUCTS

生成物

结构：CC(C)(C)c1cc(SCCCCOc2ccc3c(c2)C(C)(C)OC(=O)N3)cc(C(C)(C)C)c1O

HCID13260522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e5da5b3a30c4a80834496a4f31a773a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:20]([CH3:21])([CH3:22])([CH3:23])[c:24]1[cH:25][c:26]([SH:35])[cH:27][c:28]([C:31]([CH3:32])([CH3:33])[CH3:34])[c:29]1[OH:30].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2)[S:35][c:26]1[cH:25][c:24]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:29]([OH:30])[c:28]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:27]1