HCID 12048026, compound → HCID 86589455, compound

HRID 698480Notes

Reaction equation

HRID 698480 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[c:41]2[cH:42][c:43]([CH3:48])[n:44][c:45]([CH3:47])[cH:46]2)[cH:38][cH:39][cH:40]1)[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[c:41]3[cH:42][c:43]([CH3:48])[n:44][c:45]([CH3:47])[cH:46]3)[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25]

Participants

3

Reactant 2

HCID 12048026HCID 12048026, compoundHCID 694892403-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

Product 1

HCID 86589455HCID 86589455, compound

Sources & evidence

ORD record
ord-89a5c1e5fe654839a7f254bcbadcde66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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