Hydrochloric Acid → N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-4-(dimethylamino)but-2-enamide
Reaction equation
[CH3:2][N:3]([CH2:4][CH:5]=[CH:6][C:7](=[O:8])[OH:9])[CH3:10].[CH3:50][C:51]#[N:52].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[Cl:53][CH2:54][Cl:55].[ClH:1].[N:17]#[N:18].[NH2:19][c:20]1[c:21]2[n:22](-[c:37]3[cH:38][cH:39][c:40]([O:43][c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:41][cH:42]3)[c:23](=[O:36])[n:24](-[c:29]3[cH:30][c:31]([NH2:35])[cH:32][cH:33][cH:34]3)[c:25]2[n:26][cH:27][n:28]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[CH3:2][N:3]([CH2:4][CH:5]=[CH:6][C:7](=[O:8])[NH:35][c:31]1[cH:30][c:29](-[n:24]2[c:23](=[O:36])[n:22](-[c:37]3[cH:38][cH:39][c:40]([O:43][c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:41][cH:42]3)[c:21]3[c:20]([NH2:19])[n:28][cH:27][n:26][c:25]32)[cH:34][cH:33][cH:32]1)[CH3:10]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-74b82acbe6874f859ecced60c68341cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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