HRID195556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID7914

Isopropyl ether

C6H14O

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID3014138

2-Amino-m-cresol

C7H9NO

HCID11117589

2-Bromo-5-methylthiophene-3-carboxylic acid

C6H5BrO2S

HCID18422254

未命名化合物

PRODUCTS

生成物

HCID11110188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf127e9d603d4602ab34a684b5e53114
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

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