HRID1553773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID5083931

4-Methyl-3-thiopheneboronic acid

C5H7BO2S

HCID57606963

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：CCn1c(=O)c(-c2cscc2C)cc2c(C)nc(N)nc21

HCID16123064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaac4c7f7c52446ba035df93902d03c5
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

[CH3:23][c:24]1[c:25]([B:29]([OH:30])[OH:31])[cH:26][s:27][cH:28]1.[K+:32].[K+:33].[NH2:7][c:8]1[n:9][c:10]([CH3:22])[c:11]2[c:12]([n:13]1)[n:14]([CH2:20][CH3:21])[c:15](=[O:19])[c:16]([Br:18])[cH:17]2.[O-:34][C:35]([O-:36])=[O:37].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[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>>[NH2:7][c:8]1[n:9][c:10]([CH3:22])[c:11]2[c:12]([n:13]1)[n:14]([CH2:20][CH3:21])[c:15](=[O:19])[c:16](-[c:25]1[c:24]([CH3:23])[cH:28][s:27][cH:26]1)[cH:17]2