HRID1216288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID2733369

2,6-difluorobenzoyl isocyanate

C8H3F2NO2

HCID54230357

(4-Chlorophenyl)cyclopropylmethanone O-[(4-aminophenyl)methyl]oxime

C17H17ClN2O

PRODUCTS

生成物

结构：O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(CON=C(c2ccc(Cl)cc2)C2CC2)cc1

HCID86309

Flucycloxuron

C25H20ClF2N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61af0f88b38145cab6bdd94ce9100a95
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

[CH3:35][CH2:36][O:37][CH2:38][CH3:39].[CH:14]1([C:17]([c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)=[N:25][O:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]2)[CH2:15][CH2:16]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[c:9]([F:13])[cH:10][cH:11][cH:12]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:32][c:31]2[cH:30][cH:29][c:28]([CH2:27][O:26][N:25]=[C:17]([CH:14]3[CH2:15][CH2:16]3)[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[cH:34][cH:33]2)[c:9]([F:13])[cH:10][cH:11][cH:12]1