Water → Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2-pyridinyl]amino]pentanoate

HRID 1551518Notes

Reaction equation

HRID 1551518 reaction equation
[CH3:28][O:29][C:30]([CH:31]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45].[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[CH3:78][C:79]#[N:80].[OH2:77].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:1]1[c:2]([O:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][c:14]3[n:15][o:16][c:17](-[c:19]4[c:20]([NH2:25])[n:21][cH:22][cH:23][cH:24]4)[cH:18]3)[cH:26][cH:27]2)[cH:3][cH:4][cH:5][cH:6]1.[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[n:1]1[c:2]([O:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][c:14]3[n:15][o:16][c:17](-[c:19]4[c:20]([NH:25][C:34]([CH2:33][CH2:32][CH:31]([C:30]([O:29][CH3:28])=[O:45])[NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:35])[n:21][cH:22][cH:23][cH:24]4)[cH:18]3)[cH:26][cH:27]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 139430724-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acidHCID 16719049E-1210

Product 1

HCID 67355983Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2-pyridinyl]amino]pentanoate

Sources & evidence

ORD record
ord-41ed104b81a74dab9c7e326760de86d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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