HRID2138330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6340

Ethane, iodo-

C2H5I

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

结构：COCOC1CN(c2cc(C(C)=O)cc(C(C)(C)C)c2OC)CC1O

HCID178498738

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2cc(C(C)=O)cc(C(C)(C)C)c2OC)CC1OCOC

HCID178467153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-027f533a8ea04d9e8b8ec2b6291229b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:42].[C:4]([CH3:5])([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:26]([CH3:27])=[O:28])[cH:11][c:12]([N:16]2[CH2:17][CH:18]([OH:25])[CH:19]([O:21][CH2:22][O:23][CH3:24])[CH2:20]2)[c:13]1[O:14][CH3:15].[CH2:1]([CH3:2])[I:3].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[OH2:60]>>[CH2:1]([CH3:2])[O:25][CH:18]1[CH2:17][N:16]([c:12]2[cH:11][c:10]([C:26]([CH3:27])=[O:28])[cH:9][c:8]([C:4]([CH3:5])([CH3:6])[CH3:7])[c:13]2[O:14][CH3:15])[CH2:20][CH:19]1[O:21][CH2:22][O:23][CH3:24]