HRID185159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID8360

1,3-Dichloro-5,5-dimethylhydantoin

C5H6Cl2N2O2

结构：CC(C)(C)OC(=O)N1CCCN(c2ccc(Br)nc2)CC1

HCID22478562

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(c2ccc(Cl)nc2)CC1

HCID22478487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a5a61d772b04ef9af1a7118fd5a1a1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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