HRID106518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID69148

Methanone, bis(4-methylphenyl)-

C15H14O

HCID79341

Piperidin-4-ol

C5H11NO

PRODUCTS

生成物

HCID10357168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4787055f874422fbe961f32edff9b1b
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-:17].[CH2:43]([OH:44])[CH3:45].[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[cH:15][cH:16]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:18].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:26].[OH:19][CH:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([O:7][CH:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[c:8]2[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[cH:15][cH:16]1