HRID2138305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

反应SMILES：COC(=O)C(NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1)C(C)C

HCID178501629

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)C(NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1)C(=O)O

HCID178449282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0d007ea3b7964a5991752c15d8b977cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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