Hydrochloric Acid → [2-Methyl-1-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetate

HRID 1231915Notes

Reaction equation

HRID 1231915 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:12])[OH:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:45]([CH3:46])(=[O:47])[O:48][C:49]([CH2:50][NH2:51])([CH3:52])[CH3:53].[CH2:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH:59]([CH3:60])[CH3:61])[CH3:62].[CH3:33][N:34]([CH3:35])[CH2:36][CH2:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH3:43].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:32].[ClH:44].[OH2:21].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]([C:11](=[O:13])[NH:51][CH2:50][C:49]([O:48][C:45]([CH3:46])=[O:47])([CH3:52])[CH3:53])[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 52406092-{[(Tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acidHCID 20827160(1-Amino-2-methylpropan-2-yl) acetate

Product 1

HCID 20827152[2-Methyl-1-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetate

Sources & evidence

ORD record
ord-ccce03cf49e04d35a7dca3ad257437ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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