HRID1138145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8127

Heptylamine

C7H17N

结构：C[Si](C)(C)CCOCn1c(CCCCCCBr)nc(-c2ccccc2)c1-c1ccccc1

HCID10414091

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNCCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)n1COCC[Si](C)(C)C

HCID10256931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67a2a5fabf9547c9bc703f09ae43ada4
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

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[n:9]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:10](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:11](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:12]1.[C:41](=[O:42])([OH:43])[O-:44].[CH2:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[NH2:40].[CH3:46][C:47]#[N:48].[Na+:45]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[n:9]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:10](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:11](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:12]1)[NH:40][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]