HRID663243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：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

反应SMILES：CN1CCN(c2cc(N3CCc4ccc(Br)cc4C3)nc(N)n2)CC1

HCID46701048

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(c2cc(N3CCc4ccc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4C3)nc(N)n2)CC1

HCID59402376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-86525fa814dc4d49b65b8755d3306d77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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