Hydrogen Sulfide → N-4-amidinobenzoyl-beta-phenyl-alpha,alpha-dimethyl-beta-alanyl-4-piperidineacetic acid benzyl ester
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]1[CH2:12][CH2:13][N:14]([C:17]([C:18]([CH:19]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)=[O:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([CH3:37])[CH3:38])=[O:39])[CH2:15][CH2:16]1)=[O:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[SH2:48].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]1[CH2:12][CH2:13][N:14]([C:17]([C:18]([CH:19]([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([C:28]([NH2:29])=[NH:43])[cH:26][cH:27]2)=[O:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([CH3:37])[CH3:38])=[O:39])[CH2:15][CH2:16]1)=[O:40]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-16c6072fbca947f2a8f0d21c03fbaa67
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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