HRID1230193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

结构：O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O

HCID10474339

BMS-191011

C16H10ClF3N2O3

PRODUCTS

生成物

结构：O=C(Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O)c1ccc(CCl)cc1

HCID21852100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9a862dadb9a4f28a84b1f278d7bddd1
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

[CH2:43]([Cl:44])[Cl:45].[Cl:12][c:13]1[cH:14][cH:15][c:16]([OH:36])[c:17]([CH2:19][n:20]2[c:21](=[O:35])[o:22][c:23](-[c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[n:24]2)[cH:18]1.[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:36][c:16]2[cH:15][cH:14][c:13]([Cl:12])[cH:18][c:17]2[CH2:19][n:20]2[c:21](=[O:35])[o:22][c:23](-[c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[n:24]2)[cH:10][cH:11]1