HRID695270

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

反应SMILES：CCOC(=O)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)OC

HCID69557442

未命名化合物

PRODUCTS

产物

反应SMILES：COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)O

HCID18003446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6c13175728fe4b9084402afded098646
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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