HRID156650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7918

Acetic anhydride

C4H6O3

HCID28123

Tetrahydroborate

H4B-

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(C2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1

HCID135400439

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CC(c3c(O)cc(C)oc3=O)N(C(C)=O)CCS2)c(OC)c1

HCID54703350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d3ff3e0f4454d2c85288dceaf986e0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:27].[C:46](#[N:47])[CH3:48].[CH3:1][O:2][c:3]1[c:4]([CH:11]2[CH2:12][C:13]([c:18]3[c:19](=[O:26])[o:20][c:21]([CH3:25])[cH:22][c:23]3[OH:24])=[N:14][CH2:15][CH2:16][S:17]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:29][C:30](=[O:31])[O:32][C:33](=[O:34])[CH3:35].[CH3:49][CH2:50][OH:51].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Na+:28].[OH2:45]>>[CH3:1][O:2][c:3]1[c:4]([CH:11]2[CH2:12][CH:13]([c:18]3[c:19](=[O:26])[o:20][c:21]([CH3:25])[cH:22][c:23]3[OH:24])[N:14]([C:30]([CH3:29])=[O:31])[CH2:15][CH2:16][S:17]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1