Acetic Acid → 2-[[4-[4-(Tert-butoxycarbonyl)piperazin-1-yl]phenyl]-amino]-4-(cyclopentylamino)-5-nitropyrimidine
Reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([c:39]2[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]2)[CH2:37][CH2:38]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:17][N:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH3:25].[CH3:51][CH:52]([OH:53])[CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[n:7]1.[OH2:59]>>[c:2]1([NH:45][c:42]2[cH:41][cH:40][c:39]([N:36]3[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]3)[cH:44][cH:43]2)[n:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6]([NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[n:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-ef72685ff5fd4687bcbe5de00a35a613
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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