HRID1135355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID70918

Sulfuryl chloride isocyanate

CClNO3S

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc(F)ccc21

HCID25099831

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(C#N)c2cc(F)ccc21

HCID25099695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa356b80d12d4ee89f6bc7132e6b22a1
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

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