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Calcium Cation → 1-(4-Benzyloxy-3-hydroxymethyl-phenyl)-2-(1,1-dimethyl-3-[1,2,4]triazol-1-yl-propylamino)-ethanol

HRID 213518
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HRID 213518 반응식
[BH4-:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([CH:19]([CH2:20][NH:21][C:22]([CH2:23][CH2:24][n:25]2[n:26][cH:27][n:28][cH:29]2)([CH3:30])[CH3:31])[OH:32])[cH:17][cH:18]1.[Ca+2:35].[Cl-:33].[Cl-:34].[Na+:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][OH:12])[cH:15][c:16]([CH:19]([CH2:20][NH:21][C:22]([CH2:23][CH2:24][n:25]2[n:26][cH:27][n:28][cH:29]2)([CH3:30])[CH3:31])[OH:32])[cH:17][cH:18]1
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반응물 5

HCID 271Calcium CationHCID 312Chloride2회HCID 923Sodium IonHCID 28123BorohydrideHCID 68877359Methyl 2-benzyloxy-5-[2-[1,1-dimethyl-3-[1,2,4]triazol-1-yl-propylamino]-1-hydroxy-ethyl]-benzoate

생성물 1

HCID 688781131-(4-Benzyloxy-3-hydroxymethyl-phenyl)-2-(1,1-dimethyl-3-[1,2,4]triazol-1-yl-propylamino)-ethanol

출처 및 근거

ORD 기록
ord-01c682f9dc8247efac5373553820e466
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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