HRID194123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID31347

Sulfolane

C4H8O2S

HCID80528

2-Chloro-3-pyridylamine

C5H5ClN2

HCID11205965

Methyl 2-amino-4-methylbenzoate

C9H11NO2

HCID14209972

未命名化合物

PRODUCTS

生成物

HCID14209975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df9ed58d60c2482d90c5ff330974cb57
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

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