HRID190608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1983

Acetaminophen

C8H9NO2

HCID30165

Iodide ion

I-

HCID3826051

未命名化合物

HCID20392594

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Oc1ccc(NC(C)=O)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1

HCID12531907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-449eebc6279843218d9892a5fcb2e11c
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:17][CH:18]([C:19](=[O:20])[O:21][CH3:22])[c:23]1[cH:24][cH:25][c:26]([O:29][c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[cH:27][cH:28]1.[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1.[CH3:12][O-:13].[CH3:37][OH:38].[I-:16].[K+:15].[Na+:14].[OH2:45].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([O:11][CH:18]([C:19](=[O:20])[O:21][CH3:22])[c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[cH:27][cH:28]2)[cH:9][cH:10]1