Hydroxide → 3-[(1-Cyano-piperidin-4-yl)-(4-methyl-cyclohexanecarbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid

HRID 141112Notes

Reaction equation

HRID 141112 reaction equation
[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]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]1[CH2:21][CH2:22][N:23]([C:26]#[N:27])[CH2:24][CH2:25]1.[Li+:36].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH-:35].[OH2:34].[OH2:37]>>[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]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]1[CH2:21][CH2:22][N:23]([C:26]#[N:27])[CH2:24][CH2:25]1

Participants

6

Reactant 5

HCID 961HydroxideHCID 962Water2×HCID 28486Lithium ionHCID 312751,4-DioxaneHCID 59752286HCID 59752286, compound

Product 1

HCID 100953533-[(1-Cyano-piperidin-4-yl)-(4-methyl-cyclohexanecarbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-20510284d3f84d4991ac93c3ece9943d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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