HRID1121405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID253298

2-Furanmethanamine, tetrahydro-

C5H11NO

结构：CC(C)(C)OC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(OS(=O)(=O)C(F)(F)F)c2C1

HCID59333731

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCCO3)c2C1

HCID59333769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-592374bdd4b34a7e8d2b99fbd90818d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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