HRID1118951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756555

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C11H17BN2O2

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(-c2ccc(N)nc2)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID58016719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-295878d0740248bfaa855cd02cd72ff0
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][C:56]1([CH3:57])[C:58]([CH3:59])([CH3:60])[O:61][B:62]([c:63]2[cH:64][cH:65][c:66]([NH2:69])[n:67][cH:68]2)[O:70]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:63]2[cH:64][cH:65][c:66]([NH2:69])[n:67][cH:68]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