HRID93273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)OC(=O)N1CCC(Oc2ncnc(Oc3ccc(S(C)(=O)=O)cc3F)c2C#C[Si](C)(C)C)CC1

HCID67202861

未命名化合物

PRODUCTS

生成物

结构：C#Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID59856767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd5e8c7ca5cc40d985e40aa1e5813ba9
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:40]([OH:41])(=[O:42])[CH3:43].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:49][OH:50].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([O:26][c:27]3[c:28]([F:37])[cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[c:19]2[C:20]#[C:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[CH2:11][CH2:12]1.[Na+:39].[OH-:38]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([O:26][c:27]3[c:28]([F:37])[cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[c:19]2[C:20]#[CH:21])[CH2:11][CH2:12]1