Acetonitrile → benzyl 5-amino-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoate

HRID 202844Notes

Reaction equation

HRID 202844 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:19](=[O:20])[OH:21].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][C:30]([CH2:31][CH2:32][CH:33]([NH2:34])[C:35]([NH2:36])=[O:37])=[O:38].[CH3:54][C:55]#[N:56].[CH:39]1([N:40]=[C:41]=[N:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:19](=[O:21])[NH:34][CH:33]([CH2:32][CH2:31][C:30]([O:29][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:38])[C:35]([NH2:36])=[O:37]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 10868DicyclohexylcarbodiimideHCID 3334623-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acidHCID 12917485Benzyl 4,5-diamino-5-oxopentanoate

Product 1

HCID 178453749benzyl 5-amino-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoate

Sources & evidence

ORD record
ord-28076941e7614b54a4e9f31223a24aed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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