HRID1116366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID19660

Carbonate

CO3-2

HCID3756384

2-Fluoro-4-(1-methylethoxy)benzenamine

C9H12FNO

HCID22318764

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(NC(=O)c2c[nH]c3c2-c2nccn2C(C)C3)c(F)c1

HCID86588315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12f88116075945cebcc536e475d204a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BrH:7].[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:49][CH2:50][OH:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:8][CH:9]1[n:10]2[cH:11][cH:12][n:13][c:14]2-[c:15]2[c:16]([C:21](=[O:22])[OH:23])[cH:17][nH:18][c:19]2[CH2:20]1.[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[F:24][c:25]1[c:26]([NH2:27])[cH:28][cH:29][c:30]([O:32][CH:33]([CH3:34])[CH3:35])[cH:31]1.[K+:40].[K+:41].[OH2:48]>>[CH3:8][CH:9]1[n:10]2[cH:11][cH:12][n:13][c:14]2-[c:15]2[c:16]([C:21](=[O:23])[NH:27][c:26]3[c:25]([F:24])[cH:31][c:30]([O:32][CH:33]([CH3:34])[CH3:35])[cH:29][cH:28]3)[cH:17][nH:18][c:19]2[CH2:20]1