HRID1207084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID91365902

未命名化合物

PRODUCTS

产物

HCID69214107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-481526521d4b410bb6f2e68eaf78f278
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

[CH2:1]([CH3:2])[c:3]1[s:4][cH:5][c:6]([CH:8]=[CH:9][c:10]2[c:11]([O:21][CH2:22][c:23]3[cH:24][c:25]([O:28][CH2:29][c:30]4[n:31][c:32](-[c:36]5[cH:37][cH:38][c:39]([CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:40][cH:41]5)[o:33][c:34]4[CH3:35])[n:26][o:27]3)[n:12][n:13](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[n:7]1.[CH3:57][CH2:58][OH:59].[ClH:55].[Na+:54].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:53].[OH2:56]>>[CH2:1]([CH3:2])[c:3]1[s:4][cH:5][c:6]([CH:8]=[CH:9][c:10]2[c:11]([O:21][CH2:22][c:23]3[cH:24][c:25]([O:28][CH2:29][c:30]4[n:31][c:32](-[c:36]5[cH:37][cH:38][c:39]([CH2:42][C:43](=[O:44])[OH:45])[cH:40][cH:41]5)[o:33][c:34]4[CH3:35])[n:26][o:27]3)[n:12][n:13](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[n:7]1