HRID103168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID28123

Borohydride

BH4-

HCID78072

Quinoline-4-carbaldehyde

C10H7NO

HCID17878014

未命名化合物

PRODUCTS

产物

HCID19035908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-941036c3940c42da836f1cf1f96d565d
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-:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:15]([c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)=[O:30])[CH2:10][CH2:11][CH:12]([NH2:14])[CH2:13]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][OH:59].[Mg+2:43].[Na+:50].[O-:44][S:45](=[O:46])(=[O:47])[O-:48].[n:31]1[cH:32][cH:33][c:34]([CH:41]=[O:42])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:15]([c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)=[O:30])[CH2:10][CH2:11][CH:12]([NH:14][CH2:41][c:34]2[cH:33][cH:32][n:31][c:40]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[CH2:13]1