Hydrochloric Acid → Ethyl 2-[4-[4-[[4-[[4-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

HRID 1554042Notes

Reaction equation

HRID 1554042 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[o:37][cH:38][c:39]([CH:41]=[CH:42][c:43]2[c:44]([OH:54])[n:45][n:46](-[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:47]2)[n:40]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:1][CH2:2][c:3]1[cH:4][c:5]([O:29][CH3:30])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]3)[o:12][c:13]2[CH3:14])[cH:27][cH:28]1.[ClH:31].[K+:59].[K+:60].[OH2:66]>>[CH2:2]([c:3]1[cH:4][c:5]([O:29][CH3:30])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]3)[o:12][c:13]2[CH3:14])[cH:27][cH:28]1)[O:54][c:44]1[c:43]([CH:42]=[CH:41][c:39]2[cH:38][o:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[n:40]2)[cH:47][n:46](-[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[n:45]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 86605724Ethyl (4-{4-[(4-chloromethyl-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)acetateHCID 1784416014-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one

Product 1

HCID 90705235Ethyl 2-[4-[4-[[4-[[4-[2-(2-tert-butyl-1,3-oxazol-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-b6c1a62d11764cae81da8f2336b0374d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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