HRID2313458

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

HCID8058

n-Hexane

C6H14

HCID347555

未命名化合物

HCID519427

N-Benzyl-1-phenylethanamine

C15H17N

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N(Cc1ccccc1)C(c1ccccc1)C(O)C(=O)OC(C)(C)C

HCID15226470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e58a2a1ac45b429da056afca46bc7421
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([CH:28]=[CH:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36].[CH2:17]([Li:18])[CH2:19][CH2:20][CH3:21].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl-:37].[NH4+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:29]([CH:28]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:36])[OH:39])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1