HRID1203379

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID95577

Butanoic acid, 2-bromo-, methyl ester

C5H9BrO2

HCID166653

Hydride

H-

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)NC1=O

HCID76834838

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)C(=O)OC)C1=O

HCID76834441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c0122fa21ea449281a16a58b6ee0f9a
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

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