4-Bromoanisole → N-(4-Methoxyphenyl)-5-nitro-2-pyrimidinamine
Reaction equation
[Br:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1.[C:20](=[O:21])([O-:22])[O-:23].[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:70](=[CH:71][C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)=[O:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Cs+:24].[Cs+:25].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][n:6][c:7]([NH2:10])[n:8][cH:9]1.[Pd:68].[Pd:69].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[c:35]3[c:59]([cH:60][cH:61][cH:62]2)[C:56]([CH3:57])([CH3:58])[c:38]2[c:37]([c:42]([P:43]([c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[cH:41][cH:40][cH:39]2)[O:36]3)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[n:8][cH:9]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-aa2fac4a3d0541d68de342bb7c3f94cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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