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Hydrochloric Acid → 3-(5-methyl-2-phenyl-4-oxazolylmethoxy)-1-(4-phenoxybenzyl)-1H-pyrazole-4-carboxylic acid

HRID 2151991
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반응식

HRID 2151991 반응식
[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][n:17]([CH2:25][c:26]3[cH:27][cH:28][c:29]([O:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:30][cH:31]3)[cH:18][c:19]2[C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:47][CH2:48][OH:49].[ClH:46].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:39]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][n:17]([CH2:25][c:26]3[cH:27][cH:28][c:29]([O:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:30][cH:31]3)[cH:18][c:19]2[C:20](=[O:21])[OH:22])[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1
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반응물 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 23025080ethyl 3-(5-methyl-2-phenyl-4-oxazolylmethoxy)-1-(4-phenoxybenzyl)-1H-pyrazole-4-carboxylate

생성물 1

HCID 23025032
3-(5-methyl-2-phenyl-4-oxazolylmethoxy)-1-(4-phenoxybenzyl)-1H-pyrazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-d73b42c96cd7456a95adc9ddf326c256
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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