HRID300982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID10780239

1H-Indole-3-acetic acid, 5-bromo-2-methyl-, ethyl ester

C13H14BrNO2

HCID13173490

1-(Benzyloxy)-3-(chloromethyl)benzene

C14H13ClO

PRODUCTS

生成物

结构：CCOC(=O)Cc1c(C)n(Cc2cccc(OCc3ccccc3)c2)c2ccc(Br)cc12

HCID53995739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beaac415020748cab800be752561a5ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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