HRID696566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1CCCc1ccc(C#N)cc1)Cc1ccccc1

HCID22712438

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(CCCN2C(=O)CCC2CCC(O)Cc2ccccc2)cc1

HCID22712519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fed7a7c81d1f452b81cab46d3a0decb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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