HRID683784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID76585157

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：CC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1

HCID68747503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fba39ec80d1441c78c866eb5ead7f62f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]2[c:4]([c:5]([N:8]3[CH2:9][CH:10]([CH3:14])[NH:11][CH2:12][CH2:13]3)[n:6][n:7]1)[cH:15][n:16][cH:17][cH:18]2.[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1)([F:30])[F:31].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([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)[P:95]([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)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:30])[F:31])[cH:26][cH:25]2)[c:3]2[c:4]([c:5]([N:8]3[CH2:9][CH:10]([CH3:14])[NH:11][CH2:12][CH2:13]3)[n:6][n:7]1)[cH:15][n:16][cH:17][cH:18]2