HRID2136309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID70918

Sulfuryl chloride isocyanate

CClNO3S

结构：CCC1c2cccn2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(OC)c(C)c1

HCID69066226

未命名化合物

PRODUCTS

生成物

结构：CCC1c2ccc(C#N)n2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(OC)c(C)c1

HCID69061368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04664a855b3e4987a8c024c59777aa58
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

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