HRID947316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID11073372

2-Methyloxazole-4-carbaldehyde

C5H5NO2

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=Cc2coc(C)n2)cc1

HCID68516688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98ebb7f144534460814b005469fd8f8a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:34][c:35]1[o:36][cH:37][c:38]([CH:40]=[O:41])[n:39]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.[H-:32].[Na+:33].[OH2:42]>>[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:40][c:38]2[cH:37][o:36][c:35]([CH3:34])[n:39]2)[CH2:2][CH2:3]1