Toluene → 4-[1-(3-Fluoro-benzyl)-3-methyl-2-oxo-1,2,3,4-tetrahydro-quinazolin-5-yl]-piperazine-1-carboxylic acid tert-butyl ester
Reaction equation
[Br:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[N:7]([CH2:12][c:13]1[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]1)[C:6](=[O:20])[N:5]([CH3:21])[CH2:4]2.[C:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[cH:35]1[cH:36][cH:37][c:38]([P:39]([c:40]2[cH:41][cH:42][c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[c:49]2-[c:50]2[c:51]3[c:52]([cH:53][cH:54][cH:55][cH:56]3)[cH:57][cH:58][c:59]2[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80]1>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:34][CH2:33]2)[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[N:7]([CH2:12][c:13]1[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]1)[C:6](=[O:20])[N:5]([CH3:21])[CH2:4]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-edfc50f0ca31416e9525cb4a13990c41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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