Water → Ethyl 3-(6-methoxy-2-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate

HRID 1149167Notes

Reaction equation

HRID 1149167 reaction equation
[C:17](=[O:18])([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[NH:24][CH2:25][C:26](=[O:27])[OH:28].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:9][CH:10]([NH2:11])[C:12](=[O:13])[O:14][CH2:15][CH3:16])[n:8]1.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:9][CH:10]([NH:11][C:26]([CH2:25][NH:24][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:27])[C:12](=[O:13])[O:14][CH2:15][CH3:16])[n:8]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 78288N-(tert-butoxycarbonyl)glycineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 64147133Ethyl 2-amino-3-(6-methoxy-2-pyridinyl)propanoate

Product 1

HCID 66582661Ethyl 3-(6-methoxy-2-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate

Sources & evidence

ORD record
ord-baa4b561d6864a33b0bf1eddd37a2255
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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