HRID182602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID13519180

3-Amino-4-fluorophenol

C6H6FNO

HCID67252340

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cc(-c3ccnc(Oc4ccc(F)c(N)c4)n3)cn2)cc1

HCID67252853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf7d2343d6314c938a833ac065809617
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

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