Toluene → 3-[2-(2-Methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethylene]azetidine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[CH:12][c:13]2[n:14]([CH3:29])[c:15]3[n:16][c:17]([Cl:28])[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:30][c:31]1[nH:32][c:33]2[c:34]([n:35]1)[cH:36][cH:37][cH:38][cH:39]2.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cs+:44].[Cs+:45].[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[CH:12][c:13]2[n:14]([CH3:29])[c:15]3[n:16][c:17](-[n:32]4[c:31]([CH3:30])[n:35][c:34]5[c:33]4[cH:39][cH:38][cH:37][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-40a85d85854749cfaa38e1f9dad3be4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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