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Ammonium → 1-[5-(5-{1-[4-(methylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3,4-thiadiazol-2-yl]ethanol

HRID 2143577
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HRID 2143577 반응식
[Br-:31].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][c:22](-[c:24]3[n:25][n:26][c:27]([CH:29]=[O:30])[s:28]3)[nH:23]2)[cH:9][cH:10]1.[CH3:32][Mg+:33].[Cl-:34].[NH4+:35].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([CH2:12][CH:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][c:22](-[c:24]3[n:25][n:26][c:27]([CH:29]([OH:30])[CH3:32])[s:28]3)[nH:23]2)[cH:9][cH:10]1
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반응물 6

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028TetrahydrofuranHCID 1361666525-(5-{1-[4-(methylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3,4-thiadiazole-2-carbaldehydeHCID 178477777HCID 178477777, 화합물

생성물 1

HCID 136166659
1-[5-(5-{1-[4-(methylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)-1,3,4-thiadiazol-2-yl]ethanol

출처 및 근거

ORD 기록
ord-2db91215819d4b4db8d6bf7fd1aac547
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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