HRID139779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID10514131

6-Bromomethyl-chromen-2-one

C10H7BrO2

结构：O=C1Nc2ccccc2C(c2ccccc2F)=NC1N1C(=O)c2ccccc2C1=O

HCID19081136

未命名化合物

PRODUCTS

生成物

结构：O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1ccc2oc(=O)ccc2c1

HCID19081262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6733dbb06cf34e0f851c67ed5859daa2
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:33][CH2:34][c:35]1[cH:36][c:37]2[cH:38][cH:39][c:40](=[O:45])[o:41][c:42]2[cH:43][cH:44]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][C:64](=[O:65])[OH:66].[F:3][c:4]1[c:5]([C:10]2=[N:11][CH:12]([N:22]3[C:23](=[O:32])[c:24]4[c:25]([cH:28][cH:29][cH:30][cH:31]4)[C:26]3=[O:27])[C:13](=[O:21])[NH:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:6][cH:7][cH:8][cH:9]1.[H-:1].[Na+:2].[Na+:50].[OH2:56]>>[F:3][c:4]1[c:5]([C:10]2=[N:11][CH:12]([N:22]3[C:23](=[O:32])[c:24]4[c:25]([cH:28][cH:29][cH:30][cH:31]4)[C:26]3=[O:27])[C:13](=[O:21])[N:14]([CH2:34][c:35]3[cH:36][c:37]4[cH:38][cH:39][c:40](=[O:45])[o:41][c:42]4[cH:43][cH:44]3)[c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:6][cH:7][cH:8][cH:9]1