HRID287523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID2733369

2,6-difluorobenzoyl isocyanate

C8H3F2NO2

HCID14820606

3-Chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylaniline

C16H18ClNO

PRODUCTS

生成物

结构：Cc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3c(F)cccc3F)c(C)c2Cl)c(C)c1

HCID14626052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62597b95c3e244348a5b96292129fd14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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