HRID94215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID498716

未命名化合物

HCID11171430

3-Bromo-2-methylphenol

C7H7BrO

HCID53033344

未命名化合物

PRODUCTS

产物

HCID70109792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fedbf182232f41d8b38cdd5d35379139
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

[Br:23][c:24]1[cH:25][cH:26][cH:27][c:28]([OH:29])[c:30]1[CH3:31].[C:32]([BH3-:33])#[N:34].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:19][cH:20][cH:21][cH:22]2)[N:11]=[C:12]2[CH:13]([C:14]1=[O:15])[CH2:16][CH2:17][CH2:18]2.[CH3:41][CH2:42][OH:43].[Na+:35].[Na+:36].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49].[OH:37][C:38](=[O:39])[O-:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:19][cH:20][cH:21][cH:22]2)[NH:11][CH:12]2[CH:13]([C:14]1=[O:15])[CH2:16][CH2:17][CH2:18]2