HRID299928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：COc1cc(C2CC(O)Oc3cc(N(C)C)ccc32)cc(Br)c1OC

HCID10001474

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CC(OC(C)=O)Oc3cc(N(C)C)ccc32)cc(Br)c1OC

HCID10253201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-384beabde9a14809ba31fc68c7c7ba0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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