HRID1131687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID23938

Palladium

结构：CN1C(=O)N(c2nc3c(s2)CCOc2cc(Br)ccc2-3)C(C)(C)C1=O

HCID58203703

未命名化合物

结构：CC(C)(O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204131

2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol

C13H23BN2O3

PRODUCTS

生成物

结构：CN1C(=O)N(c2nc3c(s2)CCOc2cc(-c4cnn(CC(C)(C)O)c4)ccc2-3)C(C)(C)C1=O

HCID58204067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccffb5796f31471e9cde914ddddcdba9
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

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