HRID2145515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID170812

Benzoyl chloride, 4-pentyl-

C12H15ClO

HCID3084934

Benzoic acid, 2-chloro-4-hydroxy-, 4-pentylphenyl ester

C18H19ClO3

PRODUCTS

生成物

结构：CCCCCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CCCCC)cc3)cc2Cl)cc1

HCID7168197

Benzoic acid, 2-chloro-4-[(4-pentylbenzoyl)oxy]-, 4-pentylphenyl ester

C30H33ClO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b3c850a7036460198ac4dc802018593
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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