HRID2157931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：CC(=O)Nc1nc(C=Nc2ccc(C(=O)NC(=O)NNC(=O)OC(C)(C)C)cc2)cs1

HCID86650032

未命名化合物

PRODUCTS

生成物

HCID86650033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ea117264e3042fb8110171bccce8a26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:32].[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][cH:7][c:8]([CH:10]=[N:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:18][C:19](=[O:20])[NH:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31]2)[n:9]1.[CH3:34][C:35](=[O:36])[OH:37].[CH3:43][OH:44].[Na+:33].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][cH:7][c:8]([CH2:10][NH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:18][C:19](=[O:20])[NH:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31]2)[n:9]1