Water → L 640035

반응식

[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1.[OH2:26].[cH:1]1[cH:2][c:3]([C:18](=[O:19])[OH:20])[cH:4][c:5]2[c:11]1[CH:10]=[CH:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[S:6]2(=[O:16])=[O:17]>>[cH:1]1[cH:2][c:3]([CH2:18][OH:19])[cH:4][c:5]2[c:11]1[CH:10]=[CH:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[S:6]2(=[O:16])=[O:17]

참가 물질

반응물 3

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 130562L 636499

생성물 1

HCID 127538L 640035

출처 및 근거

ORD 기록: ord-68abb37929cc47c1bbf2add610b4d66c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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