Chloride → 7-(2-Chloro-6-fluorobenzyl)-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
Reaction equation
[Br:1][c:2]1[n:3][c:4]2[n:5]([CH3:23])[c:6](=[O:22])[n:7]([CH3:21])[c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[c:13]([Cl:19])[cH:14][cH:15][cH:16][c:17]1[F:18].[CH3:24][CH2:25][OH:26].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl-:37].[Li+:36].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[n:3][c:4]2[n:5]([CH3:23])[c:6](=[O:22])[n:7]([CH3:21])[c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[c:13]([Cl:19])[cH:14][cH:15][cH:16][c:17]1[F:18]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-97f91b70a8ea45fd9be3047464d51f3e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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