HRID1548118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID999

Phenylacetic acid

C8H8O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15234

Pivalic anhydride

C10H18O3

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID250174

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID576583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41bf8def052445709320b6f9d73b612c
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

[C:11]([Cl:12])(=[O:13])[C:14]([CH3:15])([CH3:16])[CH3:17].[C:36]([O:37][C:38](=[O:39])[C:40]([CH3:41])([CH3:42])[CH3:43])(=[O:44])[C:45]([CH3:46])([CH3:47])[CH3:48].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:18][CH2:19][CH2:20][CH2:21][Li:22].[CH3:23][CH:24]1[NH:25][C:26](=[O:35])[O:27][CH:28]1[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[C:2](=[O:3])([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:25]1[CH:24]([CH3:23])[CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[O:27][C:26]1=[O:35]