HRID1556118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782665

2-Benzyloxy-4-fluorophenylboronic acid

C13H12BFO3

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID11175076

Methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C16H18BrNO2

结构：Cn1c(-c2ccccc2O)c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

HCID58317805

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(F)cc3OCc3ccccc3)[nH]c2c1

HCID67224477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c69e69aa2e643c5a92ef53e12f99165
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:31][c:32]1[nH:33][c:34]2[cH:35][c:36]([C:47](=[O:48])[O:49][CH3:50])[cH:37][cH:38][c:39]2[c:40]1[CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH2:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[O:58][c:59]1[c:60]([B:66]([OH:67])[OH:68])[cH:61][cH:62][c:63]([F:65])[cH:64]1.[CH:1]1([c:2]2[c:3]3[c:4]([cH:5][c:6]([C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[cH:14][cH:15]3)[n:16]([CH3:17])[c:18]2-[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[OH:25])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1>>[c:32]1(-[c:60]2[c:59]([O:58][CH2:51][c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[cH:64][c:63]([F:65])[cH:62][cH:61]2)[nH:33][c:34]2[cH:35][c:36]([C:47](=[O:48])[O:49][CH3:50])[cH:37][cH:38][c:39]2[c:40]1[CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1