HRID2346018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16414215

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

C12H20BN3O2

结构：CS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(Cl)nc3s2)CC1

HCID44541675

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ncc(-c2nc(N3CCOCC3)c3nc(CN4CCN(S(C)(=O)=O)CC4)sc3n2)cn1

HCID25254150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a584fa39694475e80455c5892375ffd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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