Chloride → Ethyl 2-[4-[4-[[4-[[4-[2-(1-ethylpyrazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

HRID 135830Notes

Reaction equation

HRID 135830 reaction equation
[C:73](=[O:74])([O-:75])[O-:76].[CH2:46]([CH3:47])[n:48]1[n:49][cH:50][c:51]([CH2:53][P+:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:52]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH:1](=[O:2])[c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:42][CH3:43])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32][cH:33]4)[o:25][c:26]3[CH3:27])[cH:40][cH:41]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[Cl-:45].[ClH:44].[K+:77].[K+:78].[OH2:84]>>[CH:1]([c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:42][CH3:43])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32][cH:33]4)[o:25][c:26]3[CH3:27])[cH:40][cH:41]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1)=[CH:53][c:51]1[cH:50][n:49][n:48]([CH2:46][CH3:47])[cH:52]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 23076403(1-Ethylpyrazol-4-yl)methyl-triphenylphosphaniumHCID 86605875ethyl (4-{4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)acetate

Product 1

HCID 91546604Ethyl 2-[4-[4-[[4-[[4-[2-(1-ethylpyrazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

Sources & evidence

ORD record
ord-c1080c8106d44d54a2de07b95bb79dfc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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