HRID702286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2773210

4-aminomethyltetrahydropyran

C6H13NO

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(OS(=O)(=O)C(F)(F)F)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

HCID59333780

未命名化合物

PRODUCTS

生成物

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(NCC4CCOCC4)n2)CN(C(=O)OC(C)(C)C)CC3)cc1

HCID59333695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9574c5e47dc64dcb9eaf933e16deeb41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][c:2]1[n:3](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([O:31][S:32]([C:33]([F:34])([F:35])[F:36])(=[O:37])=[O:38])[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][N:22]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:23]4)[cH:11][cH:12]2)[cH:4][cH:5][n:6]1.[NH2:39][CH2:40][CH:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH3:1][c:2]1[n:3](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([NH:39][CH2:40][CH:41]4[CH2:42][CH2:43][O:44][CH2:45][CH2:46]4)[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][N:22]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:23]4)[cH:11][cH:12]2)[cH:4][cH:5][n:6]1