HRID283642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID52987906

4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C11H18BN3O2

结构：Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(Cl)nc12

HCID86623548

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C(C)O)CC3)c(C)c2n1

HCID66933997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25e8e37a3a034a68b446268e69aea319
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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