Water → 2-(Dimethylamino)ethyl 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 1240149Notes

Reaction equation

HRID 1240149 reaction equation
[CH3:28][C:29]#[N:30].[CH3:31][N:32]([CH2:33][CH2:34][O:35][C:36]([CH:37]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH3:52].[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:40]([CH2:39][CH2:38][CH:37]([C:36]([O:35][CH2:34][CH2:33][N:32]([CH3:31])[CH3:52])=[O:51])[NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:41])[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

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 16719049E-1210HCID 178483907HCID 178483907, compound

Product 1

HCID 673567072-(Dimethylamino)ethyl 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-6b876d7ab287426eb04499d096294be4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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