HRID1203384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CC1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2cccnc12

HCID76585151

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(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2cccnc12

HCID68730190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1018b8ef2e3040db83171f0c6b90227c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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