HRID87848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID7503

Benzyl chloride

C7H7Cl

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C(Cc1ccccc1)N2

HCID68839899

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

HCID68839424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d68ae1683214db490eb73e4fdf55996
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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