HRID185957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11167

Methyl isothiocyanate

C2H3NS

结构：Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(Nc3nc(C)cc(C)c3N)cc2)cc1

HCID21875620

未命名化合物

PRODUCTS

生成物

结构：CNC(=S)Nc1c(C)cc(C)nc1Nc1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21876256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ceaf019bc94bc7ae7e3502c8814084
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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