HRID1567546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID14268

4-Bromopyridine

C5H4BrN

结构：CC(C)(C)[Si](C)(C)OC1CC(C=O)N(Cc2ccccc2)C1

HCID19971475

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC1CC(C(O)c2ccncc2)N(Cc2ccccc2)C1

HCID178455072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90e3c0d8040b4307874b72d76d6ca88d
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

[Br:2][c:3]1[cH:4][cH:5][n:6][cH:7][cH:8]1.[C:9](=[O:10])([O-:11])[OH:12].[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[N:26]1[CH:27]([CH:39]=[O:40])[CH2:28][CH:29]([O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30]1.[CH2:41]([O:42][CH2:43][CH3:44])[CH3:45].[ClH:1].[Na+:13].[OH2:46]>>[c:3]1([CH:39]([CH:27]2[N:26]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:30][CH:29]([O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:28]2)[OH:40])[cH:4][cH:5][n:6][cH:7][cH:8]1