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Water → 4-Methyl-2-(4,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-dioxolan

HRID 1230646
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HRID 1230646 반응식
[CH2:12]([CH:13]([CH3:14])[OH:15])[OH:16].[CH3:1][CH:2]1[CH2:3][CH:4]=[C:5]([CH:10]=[O:11])[C:6]([CH3:8])([CH3:9])[CH2:7]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[OH2:28].[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1>>[CH3:1][CH:2]1[CH2:3][CH:4]=[C:5]([CH:10]2[O:11][CH:13]([CH3:14])[CH2:12][O:16]2)[C:6]([CH3:8])([CH3:9])[CH2:7]1
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반응물 5

HCID 962WaterHCID 1030Propylene GlycolHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 212637424,6,6-Trimethylcyclohex-1-ene-1-carbaldehyde

생성물 1

HCID 212637524-Methyl-2-(4,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-dioxolan

출처 및 근거

ORD 기록
ord-20d6e06e340d43f584bbe37bbdb7fcfd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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