Acetic Acid → 2-Amino-6-{[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy}-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

HRID 320252Notes

Reaction equation

HRID 320252 reaction equation
[CH2:50]([CH2:51][O:52][CH3:53])[O:54][CH3:55].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:56][C:57](=[O:58])[OH:59].[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[o:15][cH:16][c:17]([CH2:19][OH:20])[n:18]2)[cH:12][cH:13]1.[K+:6].[NH2:21][c:22]1[n:23][c:24]([S:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:25]([C:40]#[N:41])[c:26](-[c:30]2[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][OH:39])[cH:34][cH:35]2)[c:27]1[C:28]#[N:29].[OH2:49]>>[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[o:15][cH:16][c:17]([CH2:19][O:20][c:24]3[n:23][c:22]([NH2:21])[c:27]([C:28]#[N:29])[c:26](-[c:30]4[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][OH:39])[cH:34][cH:35]4)[c:25]3[C:40]#[N:41])[n:18]2)[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium CationHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 45749132-Methylpropan-2-olateHCID 15555159HCID 15555159, compoundHCID 66630499HCID 66630499, compound

Product 1

HCID 666721372-Amino-6-{[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy}-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

Sources & evidence

ORD record
ord-1539baae510642f0b09c413faf2bdf1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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