HRID691358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CNCc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1

HCID12085486

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)Cc1ccccc1

HCID22341517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4609eb0c747842f391828940dd3d45fe
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

[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:8][NH:9][CH2:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][CH:24]3[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]3)[cH:21][cH:22]2)[cH:14][cH:15][cH:16]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:53].[c:43]1([CH2:49][C:50](=[O:51])[Cl:52])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:8][N:9]([CH2:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][CH:24]3[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]3)[cH:21][cH:22]2)[cH:14][cH:15][cH:16]1)[C:50]([CH2:49][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[O:51]