HRID189842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6259

2-Bromoacetophenone

C8H7BrO

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：O=C(OC1CN2CCC1CC2)C(NCc1ccc(F)cc1)c1ccccc1

HCID67425657

未命名化合物

PRODUCTS

产物

HCID259

Bromide

Br-

反应SMILES：O=C(C[N+]12CCC(CC1)C(OC(=O)C(NCc1ccc(F)cc1)c1ccccc1)C2)c1ccccc1

HCID178521171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-84943a2677564cad8b807815b37d431a
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:28][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH: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)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27]1>>[Br-:28].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH:8]([C:9](=[O:10])[O:11][CH:12]2[CH2:13][N+:14]3([CH2:29][C:30](=[O:31])[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:15][CH2:16][CH:17]2[CH2:18][CH2:19]3)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27]1