HRID298187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID11966043

Ethyl 4-(2-bromoacetyl)benzoate

C11H11BrO3

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

HCID59401215

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCOC(=O)c1ccc(C(=O)C[N+]23CCC(CC2)C(OC(=O)C(Nc2ccccc2)c2ccccc2)C3)cc1

HCID178468936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a8b0657154245829aedddc806f8716f
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:26][CH2:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][N:13]3[CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18]3)[NH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Br-:26].[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][N+:13]3([CH2:27][C:28](=[O:29])[c:30]4[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:39][cH:40]4)[CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18]3)[NH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1