HRID2339935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID2734903

2-Thiazolecarboxaldehyde

C4H3NOS

结构：CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CP(=O)(OCC)OCC)cc1

HCID86629812

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C=Cc2nccs2)cc1

HCID68518037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f80670091d5e418ca0af1b2d9c84c204
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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