Water → (4-[3-[3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-ureido]-cyclohexyl)-carbamic acid tert butyl ester
Reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38]([NH:39][CH:40]1[CH2:41][CH2:42][CH:43]([NH2:46])[CH2:44][CH2:45]1)=[O:47].[CH2:1]([O:3][C:4](=[S:2])[NH:5][c:6]1[cH:7][c:8]([NH:16][c:17]2[n:18][c:19]3[c:24]([cH:25][n:26]2)[N:23]([CH3:27])[C:22](=[O:28])[CH2:21][N:20]3[CH:29]([CH3:30])[CH3:31])[cH:9][c:10]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:11]1)[CH3:32].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[O:3]=[C:4]([NH:5][c:6]1[cH:7][c:8]([NH:16][c:17]2[n:18][c:19]3[c:24]([cH:25][n:26]2)[N:23]([CH3:27])[C:22](=[O:28])[CH2:21][N:20]3[CH:29]([CH3:30])[CH3:31])[cH:9][c:10]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:11]1)[NH:46][CH:43]1[CH2:42][CH2:41][CH:40]([NH:39][C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:47])[CH2:45][CH2:44]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-3f515457427c47c0bde1d2be217cc300
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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