4-[2-(4-Butylphenyl)ethynyl]benzaldehyde → HCID 11419288, compound

HRID 308290Notes

Reaction equation

HRID 308290 reaction equation
[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]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([cH:34]1)[O:27][C:28]([CH3:32])([CH3:33])[O:29][C:30]2=[O:31]>>[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:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([cH:34]3)[O:27][C:28]([CH3:32])([CH3:33])[O:29][C:30]4=[O:31])[cH:19][cH:20]2)[cH:9][cH:10]1

Participants

3

Reactant 2

HCID 113345124-[2-(4-Butylphenyl)ethynyl]benzaldehydeHCID 231100727-Amino-2,2-dimethyl-4H-1,3-benzodioxine-4-one

Product 1

HCID 11419288HCID 11419288, compound

Sources & evidence

ORD record
ord-30caf121e6c04e7cb157dac6619295e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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