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Acetic Acid → 4-{[4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzoic acid

HRID 1231030
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HRID 1231030 반응식
[CH3:32][C:33](=[O:34])[OH:35].[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[n:7][c:8]([CH3:24])[n:9]([CH2:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23]3)[c:10](=[O:12])[cH:11]2)[cH:25][cH:26][c:27]([F:29])[cH:28]1.[Na+:31].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH-:30].[OH2:42]>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[n:7][c:8]([CH3:24])[n:9]([CH2:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:22][cH:23]3)[c:10](=[O:12])[cH:11]2)[cH:25][cH:26][c:27]([F:29])[cH:28]1
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HCID 176Acetic AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 21090204methyl 4-{[4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzoate

생성물 1

출처 및 근거

ORD 기록
ord-331070af6efc4367b52c70087b66a05c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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HCID 21089015
4-{[4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzoic acid