HRID303035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44119444

5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-1H-pyrazole

C9H15BN2O2

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)c1ncc(-c2cccc(C(F)(F)F)c2)cc1C

HCID57441123

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccnn2C)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID58016717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebcefae97e7843f5adc543615c03cfb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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