Methanol → 3-[(4-Methyl-cyclohexanecarbonyl)-(1-methyl-piperidin-3-ylmethyl)-amino]-5-phenyl-thiophene-2-carboxylic acid

HRID 208016

Reaction equation

HRID 208016 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:8][c:9]1[N:10]([CH2:11][CH:12]1[CH2:13][N:14]([CH3:18])[CH2:15][CH2:16][CH2:17]1)[C:19](=[O:20])[CH:21]1[CH2:22][CH2:23][CH:24]([CH3:27])[CH2:25][CH2:26]1.[CH3:42][OH:43].[Li+:35].[OH-:34].[OH2:36].[OH2:44]>>[O:2]=[C:3]([OH:4])[c:5]1[s:6][c:7](-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:8][c:9]1[N:10]([CH2:11][CH:12]1[CH2:13][N:14]([CH3:18])[CH2:15][CH2:16][CH2:17]1)[C:19](=[O:20])[CH:21]1[CH2:22][CH2:23][CH:24]([CH3:27])[CH2:25][CH2:26]1

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 684249123-[(4-Methyl-cyclohexanecarbonyl)-(1-methyl-piperidin-3-ylmethyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 104807573-[(4-Methyl-cyclohexanecarbonyl)-(1-methyl-piperidin-3-ylmethyl)-amino]-5-phenyl-thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-fdcd1d3aef9d4043b6ab838e10ef622b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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