HRID105816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(Br)cc1C1=CCCCC1

HCID59457532

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(-c2ccccc2)cc1C1=CCCCC1

HCID58754810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5844d41cdc9a4fa880a8ff0236660773
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

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