Sodium ion → 6-[(2-{[7-(2,4-Dichlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino}ethyl)amino]-nicotinonitrile
Reaction equation
[Cl:1][c:2]1[cH:3][c:4]2[n:5]([c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]3[n:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]3)[n:7]1)[n:20][cH:21][n:22]2.[Cl:23][c:24]1[c:25]([B:31]([OH:32])[OH:33])[cH:26][cH:27][c:28]([Cl:30])[cH:29]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:117]1[CH2:118][CH2:119][O:120][CH2:121][CH2:122]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([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)[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)[cH:115][cH:116]1>>[c:2]1(-[c:25]2[c:24]([Cl:23])[cH:29][c:28]([Cl:30])[cH:27][cH:26]2)[cH:3][c:4]2[n:5]([c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]3[n:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]3)[n:7]1)[n:20][cH:21][n:22]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-cc591de2912348c8b26c3fe0e0003724
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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