HRID671003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7504

Benzylamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCOc1nccc2nc(OS(=O)(=O)C(F)(F)F)c3ccncc3c12

HCID59375490

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1nccc2nc(NCc3ccccc3)c3ccncc3c12

HCID59375529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40d7c2b947b349e88faf4b9854c9fb04
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

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