HRID1229166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID563896

未命名化合物

HCID584330

1-Boc-(4-benzyl)piperazine

C16H24N2O2

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

HCID77590145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eb6521d09d14076895284f09bf6ee01
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1.[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]([CH:34]([CH:35]=[O:36])[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:21]([Li:22])([CH2:23][CH3:24])[CH3:25].[Cl-:51].[NH4+:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH:12]([CH:35]([CH:34]([N:33]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[OH:36])[CH2:13]1