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Methanol → N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[2-hydroxy-1-(hydroxymethyl)ethoxy]-4-pyrimidinyl]-1-azetidinesulfonamide

HRID 281534
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HRID 281534 반응식
[CH3:55][OH:56].[F:1][c:2]1[c:3]([CH2:9][S:10][c:11]2[n:12][c:13]([O:25][CH:26]3[CH2:27][O:28][CH:29]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[O:30][CH2:31]3)[cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[N:21]3[CH2:22][CH2:23][CH2:24]3)[n:16]2)[cH:4][cH:5][cH:6][c:7]1[F:8].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([O-:44])(=[O:45])=[O:46])[cH:47][cH:48]1.[nH+:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[F:1][c:2]1[c:3]([CH2:9][S:10][c:11]2[n:12][c:13]([O:25][CH:26]([CH2:27][OH:28])[CH2:31][OH:30])[cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[N:21]3[CH2:22][CH2:23][CH2:24]3)[n:16]2)[cH:4][cH:5][cH:6][c:7]1[F:8]
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참가 물질

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반응물 4

HCID 887MethanolHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 53628338N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2-phenyl-1,3-dioxan-5-yl)oxy]-4-pyrimidinyl]-1-azetidinesulfonamide

생성물 1

HCID 11698344N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[2-hydroxy-1-(hydroxymethyl)ethoxy]-4-pyrimidinyl]-1-azetidinesulfonamide

출처 및 근거

ORD 기록
ord-97d8469aefd34dc4bcaef374402213f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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