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Ammonium → 3-[5-[4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(1-methoxypropan-2-yloxy)phenol

HRID 696463
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HRID 696463 반응식
[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[O:6][c:7]1[cH:8][c:9](-[c:24]2[cH:25][cH:26][c:27]([C:29]3=[N:33][CH:32]([CH:34]([CH3:35])[OH:36])[CH2:31][O:30]3)[nH:28]2)[cH:10][c:11]([O:13][c:14]2[cH:15][n:16][c:17]([S:18]([CH3:19])(=[O:20])=[O:21])[cH:22][n:23]2)[cH:12]1.[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[Cl-:55].[F-:37].[NH4+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[O:6][c:7]1[cH:8][c:9](-[c:24]2[cH:25][cH:26][c:27]([C:29]3=[N:33][CH:32]([CH:34]([CH3:35])[OH:36])[CH2:31][O:30]3)[nH:28]2)[cH:10][c:11]([OH:13])[cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 749436361-[2-[5-[3-(1-methoxypropan-2-yloxy)-5-(5-methylsulfonylpyrazin-2-yl)oxyphenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol

생성물 1

HCID 178495518
3-[5-[4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(1-methoxypropan-2-yloxy)phenol

출처 및 근거

ORD 기록
ord-61e768ed3fbd4117bff0cf79b3c7815b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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