HRID1128846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID11107373

Methyl 8-bromooctanoate

C9H17BrO2

HCID178458285

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCCCCn1cnc(-c2ccccc2OC(C)C)c1

HCID59167800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c86a5191fec74ffbb37a9b1615f0bbb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:18][O:19][C:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][Br:28])=[O:29].[CH:3]([CH3:4])([CH3:5])[O:6][c:7]1[c:8](-[c:13]2[n:14][cH:15][nH:16][cH:17]2)[cH:9][cH:10][cH:11][cH:12]1.[H-:1].[I-:35].[Na+:2].[OH2:53]>>[CH:3]([CH3:4])([CH3:5])[O:6][c:7]1[c:8](-[c:13]2[n:14][cH:15][n:16]([CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][C:20]([O:19][CH3:18])=[O:29])[cH:17]2)[cH:9][cH:10][cH:11][cH:12]1