HRID150944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID2782670

2-Chloro-5-(trifluoromethyl)phenylboronic acid

C7H5BClF3O2

HCID66844699

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1

HCID67505354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57a96bfd10704dbdb4df8b1ef63f2f7f
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

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