HRID1228658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(Cl)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID44547211

未命名化合物

结构：COC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)nc1OC

HCID57441128

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(-c2cncnc2)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID57441151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03313995f06b4afb9f2d014f707a40e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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