HRID116057

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

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)c2cnnn12

HCID67009291

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(O)CC2)c2cnnn12

HCID67008597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cc5b20765a7471485f7e9eca1bab621
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

[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH:7]1[CH2:8][CH2:9][CH:10]([n:13]2[c:14]3[n:15]([c:16]([CH2:35][CH2:36][CH3:37])[c:17]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:27]5[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]5)[cH:25][cH:26]4)[c:18]2=[O:19])[n:38][n:39][cH:40]3)[CH2:11][CH2:12]1)([CH3:5])([CH3:41])[CH3:42].[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[Cl-:66].[F-:48].[NH4+:67].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1>>[OH:6][CH:7]1[CH2:8][CH2:9][CH:10]([n:13]2[c:14]3[n:15]([c:16]([CH2:35][CH2:36][CH3:37])[c:17]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:27]5[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]5)[cH:25][cH:26]4)[c:18]2=[O:19])[n:38][n:39][cH:40]3)[CH2:11][CH2:12]1