Sodium ion → 5-(4-Tert-butylamino-3-nitro-phenyl)-4-methoxy-pyrimidin-2-ylamine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[c:7]([N+:21](=[O:22])[O-:23])[cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[NH2:24][c:25]1[n:26][cH:27][c:28]([Br:33])[c:29]([O:31][CH3:32])[n:30]1.[Na+:38].[Na+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[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:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[c:7]([N+:21](=[O:22])[O-:23])[cH:8][c:9](-[c:28]2[cH:27][n:26][c:25]([NH2:24])[n:30][c:29]2[O:31][CH3:32])[cH:10][cH:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-91bdf2056fd94541a4f9ff3a49aae222
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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