HRID2344501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CCOC(=O)C(=NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1ccc(OC)cc1

HCID54188643

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(=NOCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)cc1

HCID54495792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-69b39dc2618940d786c9157413677420
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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