HRID92448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID311

Citric acid

C6H8O7

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID15914

Phenyltrimethylammonium

C9H14N+

3 次

HCID58136808

未命名化合物

PRODUCTS

生成物

HCID58136782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23f01472adf0480193f7db4fdc68127f
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-:19].[Br-:20].[Br-:21].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])=[O:18])[cH:8][c:9]([O:11][CH2:12][CH2:13][O:14][CH3:15])[cH:10]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:68][OH:69].[Cl:65][CH2:66][Cl:67].[OH:52][C:53]([CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH2:59][C:60](=[O:61])[OH:62])[OH:63])=[O:64].[c:22]1([N+:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28][cH:29][cH:30][cH:31]1.[c:32]1([N+:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:42]1([N+:43]([CH3:44])([CH3:45])[CH3:46])[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:16]([CH2:17][Br:19])=[O:18])[cH:8][c:9]([O:11][CH2:12][CH2:13][O:14][CH3:15])[cH:10]1