HRID102403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID117544

Ethyl 6-bromohexanoate

C8H15BrO2

结构：Oc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1

HCID136378478

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCCOc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1

HCID67050040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bd200fb43bf4dcaa9e988ad6f79b70a
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

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