HRID1231034

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+

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID7841

Allyl bromide

C3H5Br

结构：COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)NCC2

HCID11186519

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CCc2cc(OC)c(O)cc2C1Cc1ccc(OC)c(OC)c1

HCID13109061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f94a8c41034741a3ba56c7720d3b88c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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