HRID313000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CC=C(C)CC1)C1CCC(=O)CC1

HCID66849883

未命名化合物

PRODUCTS

生成物

HCID58114051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3779b7b3d3fe4073af5d6b6b5994112f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:33].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]1)[C:18](=[O:19])[CH:20]1[CH2:21][CH:22]=[C:23]([CH3:26])[CH2:24][CH2:25]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[Na+:34].[OH2:46]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]1)[C:18](=[O:19])[CH:20]1[CH2:21][CH:22]=[C:23]([CH3:26])[CH2:24][CH2:25]1