HRID145257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID69632

Bromoacetamide

C2H4BrNO

结构：O=c1[nH]c2ccc(C3CCC(NCCCc4ccc(F)cc4)CC3)cc2o1

HCID10155891

未命名化合物

PRODUCTS

生成物

结构：NC(=O)CN(CCCc1ccc(F)cc1)C1CCC(c2ccc3[nH]c(=O)oc3c2)CC1

HCID22669094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5aaabef1c904936bce3924663dc49ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:38].[Br:33][CH2:34][C:35](=[O:36])[NH2:37].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][NH:11][CH:12]2[CH2:13][CH2:14][CH:15]([c:18]3[cH:19][c:20]4[c:21]([nH:22][c:23](=[O:25])[o:24]4)[cH:26][cH:27]3)[CH2:16][CH2:17]2)[cH:6][cH:7]1.[Na+:32].[O-:28][C:29]([OH:30])=[O:31].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][N:11]([CH:12]2[CH2:13][CH2:14][CH:15]([c:18]3[cH:19][c:20]4[c:21]([nH:22][c:23](=[O:25])[o:24]4)[cH:26][cH:27]3)[CH2:16][CH2:17]2)[CH2:34][C:35](=[O:36])[NH2:37])[cH:6][cH:7]1