HRID1119586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID7412

Benzoyl chloride

C7H5ClO

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID59750321

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccc(-c2nc(=O)c3ccccc3s2)n1)c1ccccc1

HCID59750331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cea8cd2cf9124f70bab3f00e30456413
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)(=[O:34])[Cl:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][c:14](-[c:16]2[s:17][c:18]3[c:19]([c:20](=[O:22])[n:21]2)[cH:23][cH:24][cH:25][cH:26]3)[n:15]1.[OH2:42]>>[NH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][c:14](-[c:16]2[s:17][c:18]3[c:19]([c:20](=[O:22])[n:21]2)[cH:23][cH:24][cH:25][cH:26]3)[n:15]1)[C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34]