HRID1120054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736778

2-Methoxypyrimidine-5-boronic acid

C5H7BN2O3

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：COc1ncc(-c2nc(C(=O)N3CCC(N4CCCC4)CC3)c(C)cc2-c2cccc(C(F)(F)F)c2)cn1

HCID58016710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b104eec544b7427a814d1a5073b27f5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH3:55][O:56][c:57]1[n:58][cH:59][c:60]([B:63]([OH:64])[OH:65])[cH:61][n:62]1.[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>>[c:25]1(-[c:60]2[cH:59][n:58][c:57]([O:56][CH3:55])[n:62][cH:61]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