HRID1207751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID19660

Carbonate

CO3-2

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)ccnc2cc1O

HCID135674212

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)ccnc2cc1OCc1cccnc1

HCID22667113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30af8f391a7843ec95e877b42590f26f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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