HRID1561377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1048

Pyrazole

C3H4N2

HCID8454

N-Methylpyrrolidine

C5H11N

结构：COC(=O)c1ccc(C=Cc2cc3c(cc2CBr)C(C)(C)CCC3(C)C)cc1

HCID69136016

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=Cc2cc3c(cc2Cn2cccn2)C(C)(C)CCC3(C)C)cc1

HCID69136279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1a691c414c842a4b1e73839f1804ccf
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

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