HRID210973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

结构：CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1cccc(C#N)c1)c1ccc(F)cc1

HCID22252076

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)c1

HCID22252063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-906356968c424991ac9a1606e09ced3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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