HRID205426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID66171

1-Vinylimidazole

C5H6N2

结构：CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID2758048

Bis(4-tert-butylphenyl)methanone

C21H26O

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：C=Cn1ccnc1C(O)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

HCID12433927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a38e23b64b074b8d9f43120fa6eb2c75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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