HRID697581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID96650

3-Piperidinone, 1-(phenylmethyl)-

C12H15NO

HCID5462224

Magnesium

结构：CCCCCCC(C)(C)c1ccc(Br)c(OCc2ccccc2)c1

HCID12882164

2-(Benzyloxy)-1-bromo-4-(2-methyloctan-2-yl)benzene

C22H29BrO

PRODUCTS

生成物

结构：CCCCCCC(C)(C)c1ccc(C2(O)CCCN(Cc3ccccc3)C2)c(OCc2ccccc2)c1

HCID15571556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-062d7833f9944cfaa5c3316b4bb087d5
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:1][c:2]1[c:3]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:4][c:5]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])([CH3:15])[CH3:16])[cH:6][cH:7]1.[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]1[CH2:34][C:35](=[O:39])[CH2:36][CH2:37][CH2:38]1.[Cl-:40].[Mg:25].[NH4+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[c:2]1([C:35]2([OH:39])[CH2:34][N:33]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:38][CH2:37][CH2:36]2)[c:3]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:4][c:5]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])([CH3:15])[CH3:16])[cH:6][cH:7]1