HRID1213503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID26623

Mercuric cation

Hg+2

HCID28123

Tetrahydroborate

H4B-

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)SC)c1C(=O)OCC

HCID23070878

未命名化合物

PRODUCTS

生成物

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CO)c1C(=O)OCC

HCID23070903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a62da319d08142af8b81e159e65f1efc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH4-:1].[C:38]([O-:39])(=[O:40])[CH3:41].[C:43]([O-:44])(=[O:45])[CH3:46].[CH2:6]([C:7]#[C:8][CH3:9])[n:10]1[c:11]([N:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[n:12][c:13]([C:20](=[O:21])[S:22][CH3:23])[c:14]1[C:15](=[O:16])[O:17][CH2:18][CH3:19].[CH3:3][CH2:4][OH:5].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:37].[Hg+2:42].[Na+:2]>>[CH2:6]([C:7]#[C:8][CH3:9])[n:10]1[c:11]([N:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[n:12][c:13]([CH2:20][OH:21])[c:14]1[C:15](=[O:16])[O:17][CH2:18][CH3:19]