HRID92055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7949

3,5-Dimethylaniline

C8H11N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID23094028

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(F)c2)c1

HCID10067543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59eb014f82364f7384d4ed821bdc2e36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:25][c:26]1[n:27][cH:28][cH:29][c:30]([CH2:32][S:33][c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[C:40](=[O:41])[OH:42])[cH:31]1.[NH2:43][c:44]1[cH:45][c:46]([CH3:51])[cH:47][c:48]([CH3:50])[cH:49]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[F:25][c:26]1[n:27][cH:28][cH:29][c:30]([CH2:32][S:33][c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[C:40](=[O:42])[NH:43][c:44]2[cH:45][c:46]([CH3:51])[cH:47][c:48]([CH3:50])[cH:49]2)[cH:31]1