HRID2153160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2773474

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H16BNO3

HCID5161541

2-methoxy-4-(trifluoromethyl)aniline

C8H8F3NO

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)ccc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID67329437

N-[2-Methoxy-4-(trifluoromethyl)phenyl]-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

C21H24BF3N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0174ff3d77de46c58e535f3358913369
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([NH2:5])[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[CH3:32][N:33]([CH3:34])[c:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][OH:54].[N:14](=[C:15]=[O:16])[c:17]1[cH:18][cH:19][c:20]([B:23]2[O:24][C:25]([CH3:30])([CH3:31])[C:26]([CH3:28])([CH3:29])[O:27]2)[cH:21][cH:22]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH3:1][O:2][c:3]1[c:4]([NH:5][C:15]([NH:14][c:17]2[cH:18][cH:19][c:20]([B:23]3[O:24][C:25]([CH3:30])([CH3:31])[C:26]([CH3:28])([CH3:29])[O:27]3)[cH:21][cH:22]2)=[O:16])[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1