HRID191333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4964

2-Bromo-4-hydroxyacetophenone

C8H7BrO2

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1ccccc1

HCID59401215

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1ccc(O)cc1

HCID76828745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1d1378f89be4c9fa9997be19c9ebee9
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:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[c:12]1([CH:18]([C:19](=[O:20])[O:21][CH:22]2[CH2:23][N:24]3[CH2:25][CH2:26][CH:27]2[CH2:28][CH2:29]3)[NH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[Br-:1].[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[N+:24]12[CH2:23][CH:22]([O:21][C:19]([CH:18]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[NH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:20])[CH:27]([CH2:26][CH2:25]1)[CH2:28][CH2:29]2