HRID193850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68021

4-Fluorobenzyl bromide

C7H6BrF

HCID166653

Hydride

H-

反应SMILES：Cc1nc(-n2cnn(CCO)c2=O)sc1C(=O)NCc1cccnc1

HCID25096695

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc(-n2cnn(CCOCc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cccnc1

HCID59481283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f87488fd47aa4a40bddedc43fc604fca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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