HRID97482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C(Cc1ccc(OCc2nc(C(C)(C)C)oc2C)c2ccsc12)OCC

HCID69487539

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCc2nc(C(C)(C)C)oc2C)c2ccsc12)C(=O)O

HCID21949634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7de2bffe6c34ad0ae6fd7c07e6821d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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