HRID680805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID21100237

2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid

C11H14O5S

HCID46837495

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2F)CC1

HCID11352274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a372bae2efc5495c936679ef8478c8b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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