HRID1574888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID24813

Phosphoric trichloride

Cl3OP

HCID22341150

未命名化合物

HCID22341188

未命名化合物

HCID178434161

未命名化合物

PRODUCTS

生成物

结构：CSc1cc2nc(Sc3nnc(C)s3)c(C(F)(F)F)nc2cc1Cl

HCID22341096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39e455b1e27a4350bc62ec9708c02536
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:58](=[O:59])([O-:60])[O-:61].[CH3:37][N:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][n:44]1)[CH3:45].[Cl:19][c:20]1[cH:21][c:22]2[c:23]([cH:24][c:25]1[S:26][CH3:27])[nH:28][c:29](=[O:30])[c:31]([C:32]([F:33])([F:34])[F:35])[n:36]2.[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([S:17][CH3:18])[c:7]([Cl:16])[cH:8][c:9]2[n:10][c:11]1[C:12]([F:13])([F:14])[F:15].[K+:62].[K+:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P:46]([Cl:47])([Cl:48])([Cl:49])=[O:50].[SH:51][c:52]1[s:53][c:54]([CH3:57])[n:55][n:56]1>>[c:2]1([S:51][c:52]2[s:53][c:54]([CH3:57])[n:55][n:56]2)[n:3][c:4]2[cH:5][c:6]([S:17][CH3:18])[c:7]([Cl:16])[cH:8][c:9]2[n:10][c:11]1[C:12]([F:13])([F:14])[F:15]