HRID103539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID53167

1-Methylpiperazine

C5H12N2

结构：COCOc1ccc(CBr)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C

HCID66990849

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(CN2CCN(C)CC2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)OC(C)(C)C

HCID66990856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d7afadea3f34f0cb8ad4a770dddd9f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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