Water → HCID 178446775, compound

HRID 2339960Notes

Reaction equation

HRID 2339960 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].[CH2:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[O:55][C:56](=[O:57])[N:58]1[CH:59]([CH3:67])[CH2:60][CH2:61][CH:62]([NH2:66])[CH:63]([OH:65])[CH2:64]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][N:7]=[C:8]=[N:9][CH2:10][CH3:11].[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:12].[OH:38][c:39]1[c:40]2[n:41][n:42][nH:43][c:44]2[cH:45][cH:46][cH:47]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:66][CH:62]1[CH2:61][CH2:60][CH:59]([CH3:67])[N:58]([C:56]([O:55][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)=[O:57])[CH2:64][CH:63]1[OH:65]

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 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-7e13ed576e1a442dbca43f94bb88bd28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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