HRID173974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9709

2,4-Difluoroaniline

C6H5F2N

HCID24386

Thionyl chloride

Cl2OS

HCID215891

2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

C13H8F3NO3

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1

HCID91735

Diflufenican

C19H11F5N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37adaf8a19724bb6a47e74a0e4dbde34
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

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