HRID1560131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID73219

3,5-Di-tert-butyl-4-hydroxybenzaldehyde

C15H22O2

结构：CON1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O

HCID20041536

未命名化合物

PRODUCTS

生成物

结构：CON1CCC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

HCID119572

3-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy-2-pyrrolidinone

C20H29NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c5f5281fa5e4cb4bee5205a91db2508
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:18].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[O:9])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13].[CH3:19][O:20][N:21]1[C:22](=[O:45])[CH:23]([P+:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:24][CH2:25]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][CH2:54][OH:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[C:23]2[C:22](=[O:45])[N:21]([O:20][CH3:19])[CH2:25][CH2:24]2)[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13]