Hydrochloric Acid → [4-[2-[3-[[4-[[2-[4-(2-Ethoxy-2-oxoethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3-thiazol-2-yl]methyl benzoate

HRID 1207517Notes

Reaction equation

HRID 1207517 reaction equation
[C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)(=[O:39])[O:40][CH2:41][c:42]1[s:43][cH:44][c:45]([CH:47]=[CH:48][c:49]2[c:50]([OH:60])[n:51][n:52](-[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[cH:53]2)[n:46]1.[C:61](=[O:62])([O-:63])[O-:64].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[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+:65].[K+:66].[OH2:72]>>[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:60][c:50]1[c:49]([CH:48]=[CH:47][c:45]2[cH:44][s:43][c:42]([CH2:41][O:40][C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)=[O:39])[n:46]2)[cH:53][n:52](-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[n:51]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 178525240HCID 178525240, compound

Product 1

HCID 69218223[4-[2-[3-[[4-[[2-[4-(2-Ethoxy-2-oxoethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3-thiazol-2-yl]methyl benzoate

Sources & evidence

ORD record
ord-1a177023b4a8400983df229ae1975d1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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