HRID1240745

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-

HCID100852

1-(4-Chloro-o-tolyl)piperazine

C11H15ClN2

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

HCID66685999

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1N1CCN(CCC=C2c3cc(C(C)(C)O)ccc3OCc3ncccc32)CC1

HCID66759046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df715c0bc2d44a0ba83f16912c919e41
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:25][CH2:26][CH2:27][CH:28]=[C:29]1[c:30]2[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]2)[O:32][CH2:33][c:34]2[c:35]1[cH:36][cH:37][cH:38][n:39]2.[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][c:4]([CH3:14])[c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[I-:24].[K+:23].[n:15]1[c:16]([CH3:17])[cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:14])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:26][CH2:27][CH:28]=[C:29]3[c:30]4[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]4)[O:32][CH2:33][c:34]4[c:35]3[cH:36][cH:37][cH:38][n:39]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1