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Sodium Ion → 2-[5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid

HRID 676663
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HRID 676663 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]3)[n:19][cH:20]2)[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[n:9]1.[Na+:33].[OH-:32].[OH2:34]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:23](=[O:24])[OH:25])[cH:28][cH:29][cH:30][cH:31]3)[n:19][cH:20]2)[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[n:9]1
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반응물 4

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 19976539ethyl 2-[5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoate

생성물 1

HCID 199763772-[5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid

출처 및 근거

ORD 기록
ord-eb44a8b4852548109b9394f113a25cba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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