HRID106684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID15007

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

C15H22O3

HCID24386

Thionyl chloride

Cl2OS

HCID9877706

6-Amino-3-butyl-phthalide

C12H15NO2

PRODUCTS

生成物

结构：CCCCC1OC(=O)c2cc(NC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc21

HCID23439106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aec4a0d3f76c462b89d0adcd0e575d61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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