HRID191321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8076

Glycol monoethyl ether

C4H10O2

HCID76337

2-(Methylthio)aniline

C7H9NS

HCID22466601

未命名化合物

PRODUCTS

产物

HCID22466622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7b76d5128b494943b1294cabdceb1f17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:42]([O:43][CH2:44][CH2:45][OH:46])[CH3:47].[CH3:26][S:27][c:28]1[c:29]([NH2:30])[cH:31][cH:32][cH:33][cH:34]1.[Cl:1][c:2]1[c:3]([C:24]#[N:25])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:35].[n:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1([NH:30][c:29]2[c:28]([S:27][CH3:26])[cH:34][cH:33][cH:32][cH:31]2)[c:3]([C:24]#[N:25])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12