Cyanoacetic acid → HCID 57841361, compound

HRID 1216579Notes

Reaction equation

HRID 1216579 reaction equation
[C:34](#[N:35])[CH2:36][C:37](=[O:38])[OH:39].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[cH:32][cH:33]2)[cH:9][cH:10]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[C:37]([CH2:36][C:34]#[N:35])=[O:38])[cH:32][cH:33]2)[cH:9][cH:10]1

Participants

3

Reactant 2

HCID 9740Cyanoacetic acidHCID 57554567Methyl {4-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]phenoxy}acetate

Product 1

HCID 57841361HCID 57841361, compound

Sources & evidence

ORD record
ord-2674703bf8e5470897481e3af59290b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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