HRID190794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6328

Methyl iodide

CH3I

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：COCOC1CN(c2cc(C(C)=O)cc(C(C)(C)C)c2OC)CC1OC

HCID178498739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1746edd647543549aecef5ff3b8184c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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