HRID312200

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

结构：CCOC(=O)C(Cc1ccc(OCCc2nc(C(C)(C)C)oc2C)c2ccsc12)OC(C)C

HCID69487387

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(C(C)(C)C)nc1CCOc1ccc(CC(OC(C)C)C(=O)O)c2sccc12

HCID9933220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad56b60c635843a4880f78aa8399ef71
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

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