Sodium ion → 1-[4-(Methylamino)-6-(2-methylphenyl)-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
Reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:30][c:31]1[c:32]([B:37]([OH:38])[OH:39])[cH:33][cH:34][cH:35][cH:36]1.[CH3:46][C:47]#[N:48].[Cl:1][c:2]1[n:3][c:4]([N:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1.[Na+:44].[Na+:45].[OH2:126].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:32]2[c:31]([CH3:30])[cH:36][cH:35][cH:34][cH:33]2)[n:3][c:4]([N:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-8ddd7002bd7f4ee78d13387bb97110ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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