HRID1131704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1249327

2-ethoxy-5-(trifluoromethyl)aniline

C9H10F3NO

HCID2773474

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

C13H16BNO3

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

PRODUCTS

生成物

结构：CCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID67329712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93492630bc4c4bd4a19fcc6b137bd14f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([NH2:14])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1.[CH3:33][O:34][c:35]1[cH:36][c:37]([C:38]([F:39])([F:40])[F:41])[cH:42][cH:43][c:44]1[NH:45][C:46]([NH:47][c:48]1[cH:49][cH:50][c:51]([B:52]2[O:53][C:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60]2)[cH:61][cH:62]1)=[O:63].[N:15](=[C:16]=[O:17])[c:18]1[cH:19][cH:20][c:21]([B:24]2[O:25][C:26]([CH3:31])([CH3:32])[C:27]([CH3:29])([CH3:30])[O:28]2)[cH:22][cH:23]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([NH:14][C:16]([NH:15][c:18]2[cH:19][cH:20][c:21]([B:24]3[O:25][C:26]([CH3:31])([CH3:32])[C:27]([CH3:29])([CH3:30])[O:28]3)[cH:22][cH:23]2)=[O:17])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1