HRID180721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6259

2-Bromoacetophenone

C8H7BrO

结构：O=C(OC1CN2CCC1CC2)C(Cc1ccccc1)Nc1ccccc1

HCID67426148

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(Cc1ccccc1)Nc1ccccc1)C2)c1ccccc1

HCID75218105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a13719ea91d472396cc930b4bb526ad
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:27][CH2:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:1]1([CH2:7][CH:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][N:14]3[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19]3)[NH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Br-:27].[c:1]1([CH2:7][CH:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][N+:14]3([CH2:28][C:29](=[O:30])[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19]3)[NH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1