Ethanol → 7-(4-([N-(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(6-isopropylpyridin-3-yl)amino]methyl}pyrazol-1-yl)heptanoic acid

HRID 90068Notes

Reaction equation

HRID 90068 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]2[c:15]([cH:16][cH:17][cH:18]1)[CH:14]([C:19](=[O:20])[N:21]([c:22]1[cH:23][n:24][c:25]([CH:28]([CH3:29])[CH3:30])[cH:26][cH:27]1)[CH2:31][c:32]1[cH:33][n:34][n:35]([CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:36]1)[CH2:13][CH2:12][CH2:11]2.[CH3:50][CH2:51][OH:52].[Na+:49].[OH-:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]2[c:15]([cH:16][cH:17][cH:18]1)[CH:14]([C:19](=[O:20])[N:21]([c:22]1[cH:23][n:24][c:25]([CH:28]([CH3:29])[CH3:30])[cH:26][cH:27]1)[CH2:31][c:32]1[cH:33][n:34][n:35]([CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[OH:45])[cH:36]1)[CH2:13][CH2:12][CH2:11]2

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 59597390HCID 59597390, compound

Product 1

HCID 671838837-(4-([N-(5-benzyloxy-1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)-N-(6-isopropylpyridin-3-yl)amino]methyl}pyrazol-1-yl)heptanoic acid

Sources & evidence

ORD record
ord-12c387179c504b6098d5855684b01676
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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