HRID941710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID45480279

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate

C19H32BN3O4

HCID67388746

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc2nc(-c3cc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc3N)oc12

HCID67388157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09462a822cb64118a450f89a5cd3f3ae
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11][n:12]([CH:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[cH:13]2)[O:27]1.[CH3:51][OH:52].[Cs+:50].[F-:49].[NH2:28][c:29]1[n:30][cH:31][c:32]([Br:48])[cH:33][c:34]1-[c:35]1[o:36][c:37]2[c:38]([n:39]1)[cH:40][cH:41][cH:42][c:43]2[C:44](=[O:45])[O:46][CH3:47]>>[c:9]1(-[c:32]2[cH:31][n:30][c:29]([NH2:28])[c:34](-[c:35]3[o:36][c:37]4[c:38]([n:39]3)[cH:40][cH:41][cH:42][c:43]4[C:44](=[O:45])[O:46][CH3:47])[cH:33]2)[cH:10][n:11][n:12]([CH:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[cH:13]1