HRID1232258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID4642098

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

结构：CC1(C)C(=O)NC(=O)N1c1nc2c(s1)CCOc1cc(Br)ccc1-2

HCID58204220

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)OCCc2sc(N4C(=O)NC(=O)C4(C)C)nc2-3)CC1

HCID58203717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a893954e67084d369f14f61c8c59a315
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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