查数据/反应详情

HRID934317

反应详情

EQUATION

反应方程式

HRID 934317 的结构方程式

REACTANTS

反应物

3

结构：CCCCCC

n-Hexane

C6H14

结构：CCOC(C)=O

Ethyl acetate

C4H8O2

结构：Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)OC(C)(C)C2(O)c1ccc(Br)cc1

未命名化合物

PRODUCTS

生成物

1

结构：Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)OC(C)(C)C2c1ccc(Br)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2af676761a9b450f88ca6c77459640a0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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

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