HRID86591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14922222

4,6-Dimethylpyrimidine-5-carboxylic acid

C7H8N2O2

结构：CNS(=O)(=O)c1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(C)CCN)CC2)cc1

HCID68970697

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1

HCID57563091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beaad9a71207472195bd3d6b6d3c395a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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