HRID170733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID485421

Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-

C10H12F3N

HCID69391758

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1)OCC

HCID178471059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca285f062d8845018351226d8e77dbe8
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

[B-:45]([F:46])([F:47])([F:48])[F:49].[CH2:15]([CH3:16])[O:17][CH:18]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[OH:28])[cH:29][cH:30]1)[C:31](=[O:32])[O:33][CH2:34][CH3:35].[CH2:1]([CH3:2])[NH:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1.[CH2:67]([Cl:68])[Cl:69].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)[C:26]([CH2:25][O:24][c:23]1[cH:22][cH:21][c:20]([CH2:19][CH:18]([O:17][CH2:15][CH3:16])[C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:30][cH:29]1)=[O:28]