HRID1230859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID20304961

未命名化合物

HCID54343081

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(Oc2ccc(Cl)cc2)C1C(=O)OCc1[nH]ccc1Cc1ccccc1

HCID23335147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07f023b69efe4a069f5a54269ec47bce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[c:34]([CH2:38][OH:39])[nH:35][cH:36][cH:37]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[C:8]([CH3:13])([CH3:14])[CH:9]2[C:10](=[O:11])[OH:12])[cH:15][cH:16]1.[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[OH2:46].[S:17]([Cl:18])([Cl:19])=[O:20].[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[C:8]([CH3:13])([CH3:14])[CH:9]2[C:10](=[O:11])[O:12][CH2:38][c:34]2[c:33]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:37][cH:36][nH:35]2)[cH:15][cH:16]1