HRID1548045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)C(=O)Nc1nc(O)c2c(C#C[Si](C)(C)C)c[nH]c2n1

HCID178447258

未命名化合物

PRODUCTS

生成物

结构：C#Cc1c[nH]c2nc(NC(=O)C(C)(C)C)nc(O)c12

HCID178437174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea976c872dd146f98fb532356e33fffd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:31]([N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:48][C:49](=[O:50])[OH:51].[F-:30].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:29].[OH2:57].[OH:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[n:7]1)[nH:15][cH:16][c:17]2[C:18]#[C:19][Si:20]([CH3:21])([CH3:22])[CH3:23]>>[OH:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[n:7]1)[nH:15][cH:16][c:17]2[C:18]#[CH:19]