HRID190080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID225528

2-bromo-N-(3-methylphenyl)acetamide

C9H10BrNO

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1

HCID2653640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1adbd03a274424a9d4acb6711814401
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

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