Methanol → Methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

HRID 2130518Notes

Reaction equation

HRID 2130518 reaction equation
[CH3:37][OH:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]2)[cH:6][cH:7]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:34])[cH:29][cH:30]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 203309694-[13-(4-Chlorophenyl)-12-tridecynylamino]benzoic acid

Product 1

HCID 20330962Methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Sources & evidence

ORD record
ord-31815e030b994f8f85134e39e22131af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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