HRID174111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CCOC(=O)c1cc(-c2ccc(N3C(=O)c4[nH]nc(C(C)(C)C)c4C3c3ccccc3OC)cc2)on1

HCID178468631

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccccc1C1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(C(=O)O)no2)cc1

HCID178489257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7bc16ff499814b7faa26212933071846
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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