HRID178562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

结构：CC(C)(O)Cn1cc(-c2ccc3c(c2)OCCc2sc(N4C(=O)OCC4(C)C)nc2-3)cn1

HCID58203724

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：CC(C)(O)Cn1cc(-c2ccc3c(c2)OCCc2sc(NC(C)(C)CO)nc2-3)cn1

HCID58203805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8834112f16a64fa385164daa49f50338
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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