Toluene → (3-Chloro-isoquinolin-1-yl)-acetic acid tert.-butyl ester
Reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48]([CH3:49])=[O:50].[CH3:10][CH2:11][CH2:12][CH2:13][Li:14].[CH3:1][Si:2]([CH3:3])([CH3:4])[NH:5][Si:6]([CH3:7])([CH3:8])[CH3:9].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[N:35]([CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cl:51][c:52]1[n:53][c:54]([Cl:62])[cH:55][c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]12.[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:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]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:70].[Pd:71]>>[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48]([CH2:49][c:52]1[n:53][c:54]([Cl:62])[cH:55][c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]12)=[O:50]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-6d4af58168424a0fa40812fb5cf6628e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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