HRID303338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

结构：COCNC(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)OC(C)(C)C

HCID71114767

未命名化合物

HCID86675052

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(CC)CC1CC(C#CC(=O)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)OC(C)(C)C)C1

HCID71127334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-088bf2801f1c41fc9694a2c5c5c5cb1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][C:2](=[CH:3][CH:4]1[CH2:5][CH:6]([CH2:8][CH:9]([CH2:10][CH3:11])[CH2:12][CH3:13])[CH2:7]1)[Br:14].[C:20]([CH3:21])([CH3:22])([CH3:23])[Si:24]([O:25][CH2:26][CH2:27][CH:28]([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([NH:38][CH2:39][O:40][CH3:41])=[O:42])([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[Cl-:55].[NH4+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[C:2](#[C:3][CH:4]1[CH2:5][CH:6]([CH2:8][CH:9]([CH2:10][CH3:11])[CH2:12][CH3:13])[CH2:7]1)[C:37]([CH:28]([CH2:27][CH2:26][O:25][Si:24]([C:20]([CH3:21])([CH3:22])[CH3:23])([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:42]