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Methanol → alpha-Methylthio-alpha-(m-(2-phenyl-1,3-dioxa-2-cyclopentyl)phenyl)propionic acid

HRID 2143399
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반응식

HRID 2143399 반응식
[CH3:1][OH:2].[CH3:3][S:4][C:5]([C:6](=[O:7])[O:8][CH3:9])([CH3:10])[c:11]1[cH:12][c:13]([C:17]2([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[O:18][CH2:19][CH2:20][O:21]2)[cH:14][cH:15][cH:16]1.[Na+:29].[OH-:28].[OH2:30]>>[CH3:3][S:4][C:5]([C:6](=[O:7])[OH:8])([CH3:10])[c:11]1[cH:12][c:13]([C:17]2([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[O:18][CH2:19][CH2:20][O:21]2)[cH:14][cH:15][cH:16]1
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 12819455Methyl alpha-methylthio-alpha-[m-(2phenyl-1,3-dioxa-2-cyclopentyl)phenyl]propionate

생성물 1

HCID 12819458alpha-Methylthio-alpha-(m-(2-phenyl-1,3-dioxa-2-cyclopentyl)phenyl)propionic acid

출처 및 근거

ORD 기록
ord-25f59fec63bd4a569e1008c0f0e93bd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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