Ethanol → HCID 13320183, compound

HRID 104392Notes

Reaction equation

HRID 104392 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:30])[c:6]([CH2:27][CH2:28][CH3:29])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([C:15]#[N:16])[c:17]([N+:21]([O-:22])=[O:23])[cH:18][cH:19][cH:20]2)[OH:24])[cH:25][cH:26]1.[CH2:31]1[CH2:32][CH:33]=[CH:34][CH2:35][CH2:36]1.[CH3:37][CH2:38][OH:39]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:30])[c:6]([CH2:27][CH2:28][CH3:29])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([C:15]#[N:16])[c:17]([NH2:21])[cH:18][cH:19][cH:20]2)[OH:24])[cH:25][cH:26]1

Participants

4

Reactant 3

HCID 702EthanolHCID 8079CyclohexeneHCID 133201822-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-6-nitrobenzonitrile

Product 1

HCID 13320183HCID 13320183, compound

Sources & evidence

ORD record
ord-9db9117dbc6c4869bb714dc08d60c710
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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