HRID123581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28557

18-Crown-6

C12H24O6

HCID69683

Benzamide, p-bromo-

C7H6BrNO

HCID166653

Hydride

H-

HCID58149536

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Nc1ccc(Cl)cc1)c1c(F)cccc1F)c1ccc(Br)cc1

HCID58149552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-374beaaa3c4d4da89105051753d70029
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1.[Cl:31][c:32]1[cH:33][cH:34][c:35]([N:36]=[CH:37][c:38]2[c:39]([F:45])[cH:40][cH:41][cH:42][c:43]2[F:44])[cH:46][cH:47]1.[H-:29].[Na+:30].[O:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH:37]([NH:36][c:35]2[cH:34][cH:33][c:32]([Cl:31])[cH:47][cH:46]2)[c:38]2[c:39]([F:45])[cH:40][cH:41][cH:42][c:43]2[F:44])[cH:9][cH:10]1