HRID2130566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID292184

2,4,6-Trimethylphenylboronic acid

C9H13BO2

HCID18317815

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：Cc1cc(C)c(-c2cccc3c(Oc4ccccc4)cc(C)nc23)c(C)c1

HCID18317816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9e2aceae3b04e66ad9c0ca7b45a50a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][c:2]1[n:3][c:4]2[c:5]([Br:19])[cH:6][cH:7][cH:8][c:9]2[c:10]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:11]1.[CH3:20][c:21]1[c:22]([B:29]([OH:30])[OH:31])[c:23]([CH3:28])[cH:24][c:25]([CH3:27])[cH:26]1.[OH2:109].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[cH:107][cH:108]1>>[CH3:1][c:2]1[n:3][c:4]2[c:5](-[c:22]3[c:21]([CH3:20])[cH:26][c:25]([CH3:27])[cH:24][c:23]3[CH3:28])[cH:6][cH:7][cH:8][c:9]2[c:10]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:11]1