Methanol → 3-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

HRID 1547900Notes

Reaction equation

HRID 1547900 reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:52][OH:53].[H:45][H:46].[O:1]=[c:2]1[nH:3][c:4]2[c:5]([cH:6][n:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]23)[n:14]1[CH:15]1[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][CH:24]([CH2:25][c:26]2[cH:27][c:28]([CH3:41])[c:29]([O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:30]([CH3:32])[cH:31]2)[C:42](=[O:43])[OH:44])[CH2:19][CH2:20]1>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([cH:6][n:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]23)[n:14]1[CH:15]1[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][CH:24]([CH2:25][c:26]2[cH:27][c:28]([CH3:41])[c:29]([OH:33])[c:30]([CH3:32])[cH:31]2)[C:42](=[O:43])[OH:44])[CH2:19][CH2:20]1

Participants

5

Reactant 4

HCID 887MethanolHCID 8028TetrahydrofuranHCID 68675786HCID 68675786, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 686737193-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

Sources & evidence

ORD record
ord-9dfcf05c9fd341d0be5eb9452ef34171
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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