HRID1542504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

HCID104727

Aluminum Cation

Al+3

HCID58772031

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)C(C)C)cc1C1CCN(C2CC3CCC2C3)CC1

HCID72419050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9dc876a5cf44da6a347f41d236c4f00
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

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