Methanol → 2-[[4-[[3-Methyl-1-oxo-1-[2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoyl]amino]acetic acid

HRID 2345445Notes

Reaction equation

HRID 2345445 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH2:11][NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:21](=[O:22])[NH:23][CH:24]([CH:25]([CH3:26])[CH3:27])[C:28](=[O:29])[N:30]2[CH:31]([C:32](=[O:33])[NH:34][CH:35]([C:36]([C:37]([F:38])([F:39])[F:40])=[O:41])[CH:42]([CH3:43])[CH3:44])[CH2:45][CH2:46][CH2:47]2)[cH:19][cH:20]1.[CH3:50][OH:51].[H:48][H:49].[OH2:52]>>[O:8]=[C:9]([OH:10])[CH2:11][NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:21](=[O:22])[NH:23][CH:24]([CH:25]([CH3:26])[CH3:27])[C:28](=[O:29])[N:30]2[CH:31]([C:32](=[O:33])[NH:34][CH:35]([C:36]([C:37]([F:38])([F:39])[F:40])=[O:41])[CH:42]([CH3:43])[CH3:44])[CH2:45][CH2:46][CH2:47]2)[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 178418361HCID 178418361, compoundHCID 178449321HCID 178449321, compound

Product 1

HCID 46314172-[[4-[[3-Methyl-1-oxo-1-[2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoyl]amino]acetic acid

Sources & evidence

ORD record
ord-5fc5918a461f4300967e0b5dcaed49c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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