HRID1131563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID10908

tert-Butyl acetate

C6H12O2

结构：CCOC(=O)CC(CC#N)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

HCID11718177

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(=O)CC(CC#N)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

HCID11532812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0963d6ffa1f042aa8d5ec8ea88d8ecd2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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