HRID140306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID18975963

4-(Aminomethyl)-2-methylphenol

C8H11NO

HCID57892440

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CNC(=O)c2sc(C)c3c2CC2C3C2(C)C)ccc1O

HCID178426583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0c1fa9b99684b26bab0db58173ecc22
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-: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].[ClH:47].[NH2:48][CH2:49][c:50]1[cH:51][c:52]([CH3:57])[c:53]([OH:56])[cH:54][cH:55]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:48][CH2:49][c:50]3[cH:51][c:52]([CH3:57])[c:53]([OH:56])[cH:54][cH:55]3)[s:8][c:9]([CH3:11])[c:10]12