HRID2131733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID13668737

4-(Aminomethyl)-2,6-dimethylphenol

C9H13NO

HCID57892440

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CNC(=O)c2sc(C)c3c2CC2C3C2(C)C)cc(C)c1O

HCID178426584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b07ff68626249748f09526d0f1fd9f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:16]([F:17])([F:18])([F:19])[F:20].[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]1[CH2:5][c:6]1[c:7]([C:12](=[O:13])[OH:14])[s:8][c:9]([CH3:11])[c:10]12.[CH:63]([OH:64])=[O:65].[NH2:47][CH2:48][c:49]1[cH:50][c:51]([CH3:57])[c:52]([OH:56])[c:53]([CH3:55])[cH:54]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]1[CH2:5][c:6]1[c:7]([C:12](=[O:14])[NH:47][CH2:48][c:49]3[cH:50][c:51]([CH3:57])[c:52]([OH:56])[c:53]([CH3:55])[cH:54]3)[s:8][c:9]([CH3:11])[c:10]12