HRID685915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID24841

Hydrogen iodide

HCID22494658

4-(4-Chlorophenyl)-4-methoxypiperidine

C12H16ClNO

反应SMILES：CC(C)(O)c1ccc2c(c1)C(=CCCBr)c1cccnc1CO2

HCID66685999

未命名化合物

PRODUCTS

产物

反应SMILES：COC1(c2ccc(Cl)cc2)CCN(CCC=C2c3cc(C(C)(C)O)ccc3OCc3ncccc32)CC1

HCID66758464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-20208226a0dd436099c7a6e31735c40f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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][cH:4][c:5]([C:8]2([O:14][CH3:15])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[I:24].[n:16]1[c:17]([CH3:18])[cH:19][cH:20][cH:21][c:22]1[CH3:23]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:14][CH3:15])[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