HRID945364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID352214

(4-Methyl-2-nitrophenyl)boronic acid

C7H8BNO4

HCID57416128

7-Bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

C7H6BrN3S

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：CSc1ncc2ccc(-c3ccc(C)cc3[N+](=O)[O-])n2n1

HCID66712077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ada551d1fe84fff965ec216c615c66f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([S:11][CH3:12])[n:9][n:10]12.[N+:13](=[O:14])([O-:15])[c:16]1[c:17]([B:23]([OH:24])[OH:25])[cH:18][cH:19][c:20]([CH3:22])[cH:21]1.[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:32].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1(-[c:17]2[c:16]([N+:13](=[O:14])[O-:15])[cH:21][c:20]([CH3:22])[cH:19][cH:18]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([S:11][CH3:12])[n:9][n:10]12