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Calcium Cation → 3-Cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-ol

HRID 683521
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HRID 683521 반응식
[BH4-:1].[CH3:31][CH2:32][OH:33].[CH:5]1([CH2:11][CH:12]([C:13](=[O:14])[C:15]2([CH3:21])[CH2:16][O:17][CH2:18][O:19][CH2:20]2)[n:22]2[n:23][cH:24][n:25][cH:26]2)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1.[Ca+2:29].[Cl-:27].[Cl-:28].[ClH:30].[Na+:2].[Na+:4].[OH-:3]>>[CH:5]1([CH2:11][CH:12]([CH:13]([OH:14])[C:15]2([CH3:21])[CH2:16][O:17][CH2:18][O:19][CH2:20]2)[n:22]2[n:23][cH:24][n:25][cH:26]2)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 271Calcium CationHCID 312Chloride2회HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 28123BorohydrideHCID 134557193-Cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-one

출처 및 근거

ORD 기록
ord-6b7707f4b4f24b20baa02d36e660e294
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 134557203-Cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-propan-1-ol