Methanol → 2-(4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethylcarbamoyl)indole-1-acetic acid

HRID 1536128Notes

Reaction equation

HRID 1536128 reaction equation
[CH3:44][OH:45].[Cl:3][c:4]1[c:5]([C:6](=[O:7])[c:8]2[c:9](-[n:15]3[c:16]([CH2:21][NH:22][C:23](=[O:24])[c:25]4[n:26]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:27]5[cH:28][cH:29][cH:30][cH:31][c:32]5[cH:33]4)[n:17][n:18][c:19]3[CH3:20])[s:10][c:11]([CH2:13][CH3:14])[cH:12]2)[cH:40][cH:41][cH:42][cH:43]1.[Na+:2].[OH-:1]>>[Cl:3][c:4]1[c:5]([C:6](=[O:7])[c:8]2[c:9](-[n:15]3[c:16]([CH2:21][NH:22][C:23](=[O:24])[c:25]4[n:26]([CH2:34][C:35](=[O:36])[OH:37])[c:27]5[cH:28][cH:29][cH:30][cH:31][c:32]5[cH:33]4)[n:17][n:18][c:19]3[CH3:20])[s:10][c:11]([CH2:13][CH3:14])[cH:12]2)[cH:40][cH:41][cH:42][cH:43]1

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 22439194Ethyl 2-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethylcarbamoyl)indole-1-acetate

Product 1

HCID 190851972-(4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethylcarbamoyl)indole-1-acetic acid

Sources & evidence

ORD record
ord-2af45fa88796423ba85139b6ef6edba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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