HRID1230531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID3776

Isopropanol

C3H8O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID30165

Iodide ion

I-

结构：CC(C)(O)c1ccc2c(c1)C(=CCCBr)c1cccnc1CO2

HCID66685999

未命名化合物

HCID66757938

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)ccc1N1CCN(CCC=C2c3cc(C(C)(C)O)ccc3OCc3ncccc32)CC1

HCID66757646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-051a59052b9340f4b22fbf937f1a7332
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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