HRID165924

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

HCID11916

Benzamide, N,N-dimethyl-

C9H11NO

结构：CCc1c(-c2ccc(OC)cc2)c2cc(Br)c3cccc1n32

HCID18706939

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CCc1c(-c2ccc(OC)cc2)c2cc(C(=O)c3ccccc3)c3cccc1n32

HCID18706900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaca3003d5d94e7492f3b8aafedf856c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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