HRID2338745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID12454157

Phenylacetyl isothiocyanate

C9H7NOS

结构：CS(=O)(=O)c1cc2nccc(Oc3ccc(N)cc3F)c2s1

HCID59424540

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1

HCID59424590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cef631eb475f41098a0d4daf5712a2a3
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

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