HRID1130565

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

HCID57358541

[5-(Propan-2-yl)-1H-indazol-4-yl]boronic acid

C10H13BN2O2

结构：Cc1ccc(C(C)C)cc1OCc1c(C)nc(Cl)c2ccccc12

HCID86615930

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：Cc1ccc(C(C)C)cc1OCc1c(C)nc(-c2c(C(C)C)ccc3[nH]ncc23)c2ccccc12

HCID58994680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8b7e0544a9943c79d0d8302df9e2a64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[CH:25]([CH3:26])([CH3:27])[c:28]1[c:29]([B:37]([OH:38])[OH:39])[c:30]2[cH:31][n:32][nH:33][c:34]2[cH:35][cH:36]1.[Cl:1][c:2]1[n:3][c:4]([CH3:24])[c:5]([CH2:12][O:13][c:14]2[c:15]([CH3:23])[cH:16][cH:17][c:18]([CH:20]([CH3:21])[CH3:22])[cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Na+:44].[Na+:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:29]2[c:28]([CH:25]([CH3:26])[CH3:27])[cH:36][cH:35][c:34]3[c:30]2[cH:31][n:32][nH:33]3)[n:3][c:4]([CH3:24])[c:5]([CH2:12][O:13][c:14]2[c:15]([CH3:23])[cH:16][cH:17][c:18]([CH:20]([CH3:21])[CH3:22])[cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12