HRID100595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80600

4-Chloro-2,6-dimethoxypyrimidine

C6H7ClN2O2

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCNC3)cc1

HCID66687592

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(c2cc(OC)nc(OC)n2)C3)cc1

HCID67177261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-843a4a894dc54853a7d8ca31fe25fc17
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

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