Water → HCID 178446775, compound

HRID 2315557Notes

Reaction equation

HRID 2315557 reaction equation
[C:13](=[O:14])([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[NH:20][CH:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[C:26](=[O:27])[OH:28].[CH2:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[O:46][C:47](=[O:48])[N:49]1[CH:50]([CH3:58])[CH2:51][CH2:52][CH:53]([NH2:57])[CH:54]([OH:56])[CH2:55]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][N:7]=[C:8]=[N:9][CH2:10][CH3:11].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:12].[OH:29][c:30]1[c:31]2[n:32][n:33][nH:34][c:35]2[cH:36][cH:37][cH:38]1>>[C:13](=[O:14])([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[NH:20][CH:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[C:26](=[O:28])[NH:57][CH:53]1[CH2:52][CH2:51][CH:50]([CH3:58])[N:49]([C:47]([O:46][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[O:48])[CH2:55][CH:54]1[OH:56]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2684732-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acidHCID 21036430Racemic (2R,5S,6S)-5-Amino-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl esterHCID 178418300HCID 178418300, compound

Product 1

HCID 178446775HCID 178446775, compound

Sources & evidence

ORD record
ord-b699e8ccc9244f9d92d15f19cb1f0041
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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