Ammonium → 1-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-yl]ethanone
Reaction equation
[Br:1][c:2]1[n:3]([CH3:20])[n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][N:6]2[c:11]1[c:12]([CH3:19])[cH:13][c:14]([CH3:18])[cH:15][c:16]1[CH3:17].[CH2:21]([Li:22])[CH2:23][CH2:24][CH3:25].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[CH3:32][C:33]([Cl:34])=[O:35].[Cl-:36].[Cl-:43].[Cl-:45].[NH4+:37].[Zn+2:44].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([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)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1([C:33]([CH3:32])=[O:35])[n:3]([CH3:20])[n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][N:6]2[c:11]1[c:12]([CH3:19])[cH:13][c:14]([CH3:18])[cH:15][c:16]1[CH3:17]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-4b9a3f2bed3142e987012964ef58e60d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…