HRID2331906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID95738

4-Mercaptobenzoate

C7H6O2S

HCID13633558

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCC(C)(C)c1cc(C(=O)Sc2ccc(C(=O)O)cc2)ccc1OC

HCID19805162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-103a4556865c429c840330e54d63e29b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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