n-Heptyl isocyanate → Ethyl 3-{4-[4-(3-heptyl-1-methylureido)pyrid-2-yl]phenyl}propanoate

HRID 137736

Reaction equation

HRID 137736 reaction equation
[CH2:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[N:29]=[C:30]=[O:31].[CH3:1][NH:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:13][cH:14]2)[n:6][cH:7][cH:8]1>>[CH3:1][N:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:13][cH:14]2)[n:6][cH:7][cH:8]1)[C:30]([NH:29][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])=[O:31]

Participants

3

Reactant 2

HCID 138341n-Heptyl isocyanateHCID 66591311Ethyl 3-[4-(4-methylaminopyrid-2-yl)phenyl]propanoate

Product 1

HCID 66591734Ethyl 3-{4-[4-(3-heptyl-1-methylureido)pyrid-2-yl]phenyl}propanoate

Sources & evidence

ORD record
ord-305e3d01e16b4a77900fcced2d846b25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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