HRID125191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID28123

Tetrahydroborate

H4B-

HCID11446434

4-pyridin-4-ylbutanal

C9H11NO

结构：CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN)c2c1

HCID53857597

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1

HCID54397097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1decd8324b2a4583af5a55c6fd9ce63c
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

[BH4-:43].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH2:23][CH2:24][NH2:25])[c:10](-[c:15]3[cH:16][c:17]([CH3:22])[cH:18][c:19]([CH3:21])[cH:20]3)[nH:11][c:12]2[cH:13][cH:14]1.[Mg+2:37].[Na+:44].[O-:38][S:39](=[O:40])(=[O:41])[O-:42].[n:26]1[cH:27][cH:28][c:29]([CH2:32][CH2:33][CH2:34][CH:35]=[O:36])[cH:30][cH:31]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH2:23][CH2:24][NH:25][CH2:35][CH2:34][CH2:33][CH2:32][c:29]3[cH:28][cH:27][n:26][cH:31][cH:30]3)[c:10](-[c:15]3[cH:16][c:17]([CH3:22])[cH:18][c:19]([CH3:21])[cH:20]3)[nH:11][c:12]2[cH:13][cH:14]1