HRID2320617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID58065602

未命名化合物

HCID59177864

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc(N)c1[N+](=O)[O-]

HCID58065601

2-[5-Fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-nitro-4,6-pyrimidinediamine

C17H12F2N8O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b74977f5fe5d40b989ec7e4c91ab4da0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[Cl:26][c:27]1[n:28][c:29]([NH2:37])[c:30]([N+:34](=[O:35])[O-:36])[c:31]([NH2:33])[n:32]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:12][c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1)[n:9][c:10]2[I:11].[OH2:115].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:12][c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1)[n:9][c:10]2-[c:27]1[n:28][c:29]([NH2:37])[c:30]([N+:34](=[O:35])[O-:36])[c:31]([NH2:33])[n:32]1