Acetic Acid → 3-Dimethylaminomethyl-2-methoxycarbonylindole

HRID 146559

Reaction equation

[CH2:17]=[O:18].[CH3:14][NH:15][CH3:16].[CH3:19][C:20](=[O:21])[OH:22].[CH3:1][O:2][C:3](=[O:4])[c:5]1[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[cH:13]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]1[CH2:17][N:15]([CH3:14])[CH3:16]

Participants

Reactant 4

HCID 176Acetic Acid

HCID 674Dimethylamine

HCID 712Formaldehyde

HCID 70992Methyl 1H-indole-2-carboxylate

Product 1

HCID 109114233-Dimethylaminomethyl-2-methoxycarbonylindole

Sources & evidence

ORD record: ord-ea6c1113f1494114bde7b4f55db56885
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

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