HRID1151589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID10013602

4-Piperidineacetaldehyde, 1-(phenylmethyl)-

C14H19NO

HCID15373979

tert-Butyl (4-acetylphenyl)carbamate

C13H17NO3

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C(=O)CC(O)CC2CCN(Cc3ccccc3)CC2)cc1

HCID19968909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-302e1badb7ba48d9902b780b8e67c186
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

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