Acetic Acid → Methyl {4-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]phenoxy}acetate

HRID 177683

Reaction equation

HRID 177683 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH2:19]([CH2:20][CH2:21][CH3:22])[c:23]1[cH:24][cH:25][c:26]([C:29]#[C:30][c:31]2[cH:32][cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38]2)[cH:27][cH:28]1.[NH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1>>[NH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1)[CH2:35][c:34]1[cH:33][cH:32][c:31]([C:30]#[C:29][c:26]2[cH:25][cH:24][c:23]([CH2:19][CH2:20][CH2:21][CH3:22])[cH:28][cH:27]2)[cH:38][cH:37]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 113345124-[2-(4-Butylphenyl)ethynyl]benzaldehydeHCID 16770770Methyl [4-(aminomethyl)phenoxy]acetate

Product 1

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

Sources & evidence

ORD record
ord-967390e3d55a42028215c9e9a57645f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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