Methane → 3-[3-(1-tert-butoxycarbonylmethyl-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)ureido]benzoic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][N:9]1[C:10](=[O:46])[CH:11]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:33][cH:34][cH:35]2)[CH2:12][N:13]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19]2.[C:50].[CH3:47][CH2:48][OH:49].[Pd:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][N:9]1[C:10](=[O:46])[CH:11]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]([C:36](=[O:37])[OH:38])[cH:33][cH:34][cH:35]2)[CH2:12][N:13]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-86902f06fb7049bd822c9d00abbed6f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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