HRID158210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID485421

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

C10H12F3N

HCID69120445

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(SCc2ccccc2C(=O)OC)cc1

HCID69120484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f2be39b0b69452bb1e6acc752c4d2ea
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-:37]([F:38])([F:39])([F:40])[F:41].[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.[CH3:15][O:16][C:17](=[O:18])[c:19]1[c:20]([CH2:21][S:22][c:23]2[cH:24][cH:25][c:26]([CH2:29][C:30](=[O:31])[OH:32])[cH:27][cH:28]2)[cH:33][cH:34][cH:35][cH:36]1.[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]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:30]([CH2:29][c:26]1[cH:25][cH:24][c:23]([S:22][CH2:21][c:20]2[c:19]([C:17]([O:16][CH3:15])=[O:18])[cH:36][cH:35][cH:34][cH:33]2)[cH:28][cH:27]1)=[O:31]