HRID161860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID485421

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

C10H12F3N

HCID57640312

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccc(CCSc2ccccc2C(=O)OC)cc1

HCID69259041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d94f8eff3bb24ffc9c94375aca1a35c8
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-:39]([F:40])([F:41])([F:42])[F:43].[CH2:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH:66]([CH3:67])[CH3:68])[CH3:69].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([S:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:18][CH2:19][C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:7][cH:8][cH:9][cH:10]1.[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH2:31][NH:32][CH2:33][CH3:34])[cH:35][cH:36]1)([F:37])[F:38].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([S:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:18][CH2:19][C:20](=[O:22])[N:32]([CH2:31][c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:37])[F:38])[cH:36][cH:35]3)[CH2:33][CH3:34])[cH:23][cH:24]2)[cH:7][cH:8][cH:9][cH:10]1