HRID308378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID21877349

5-Methyl-1,3-thiazole-2-carboxylic acid

C5H5NO2S

结构：Cc1cnc(C(=O)Nc2cccc(Oc3ccc4c(C=Cc5ccccc5)nn(C(=O)c5ncc(C)s5)c4c3)c2)s1

HCID69595332

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(C(=O)Nc2cccc(Oc3ccc4c(C=Cc5ccccc5)n[nH]c4c3)c2)s1

HCID86598540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76661482bc0e49928c80f8b58ee81e33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[s:3][c:4]([C:5](=[O:6])[n:9]2[n:10][c:11]([CH:34]=[CH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:12]3[cH:13][cH:14][c:15]([O:18][c:19]4[cH:20][c:21]([NH:25][C:26](=[O:27])[c:28]5[s:29][c:30]([CH3:33])[cH:31][n:32]5)[cH:22][cH:23][cH:24]4)[cH:16][c:17]23)[n:7][cH:8]1.[CH3:42][c:43]1[s:44][c:45]([C:46]([OH:47])=[O:48])[n:49][cH:50]1.[Cl:75][C:76]1=[C:87]([Cl:88])[C:85](=[O:86])[C:82]([C:83]#[N:84])=[C:79]([C:80]#[N:81])[C:77]1=[O:78].[O:89]=[CH:90][N:91]([CH3:92])[CH3:93].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[nH:9]1[n:10][c:11]([CH:34]=[CH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][c:21]([NH:25][C:26](=[O:27])[c:28]4[s:29][c:30]([CH3:33])[cH:31][n:32]4)[cH:22][cH:23][cH:24]3)[cH:16][c:17]12