HRID87156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID498716

未命名化合物

HCID4187788

(tert-Butyldimethylsilyloxy)acetaldehyde

C8H18O2Si

结构：CCOC(=O)c1cn(CC2CCNC2)c2ccc(I)cc2c1=O

HCID59415876

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(CC2CCN(CCO[Si](C)(C)C(C)(C)C)C2)c2ccc(I)cc2c1=O

HCID59415872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb5b625b3d174c30b3eebc4166780f04
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:25]([CH3:26])([CH3:27])([CH3:28])[Si:29]([O:30][CH2:31][CH:32]=[O:33])([CH3:34])[CH3:35].[C:36]([BH3-:37])#[N:38].[CH3:41][OH:42].[ClH:1].[I:2][c:3]1[cH:4][c:5]2[c:6](=[O:24])[c:7]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:8][n:9]([CH2:13][CH:14]3[CH2:15][NH:16][CH2:17][CH2:18]3)[c:10]2[cH:11][cH:12]1.[Na+:39].[OH2:40]>>[I:2][c:3]1[cH:4][c:5]2[c:6](=[O:24])[c:7]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:8][n:9]([CH2:13][CH:14]3[CH2:15][N:16]([CH2:32][CH2:31][O:30][Si:29]([C:25]([CH3:26])([CH3:27])[CH3:28])([CH3:34])[CH3:35])[CH2:17][CH2:18]3)[c:10]2[cH:11][cH:12]1