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Ethanol → 1-[3-(6-Fluoro-1,2-benzoxazol-3-yl)phenoxy]-3-(thiophen-2-ylmethylamino)propan-2-ol

HRID 702874
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HRID 702874 반응식
[CH3:33][CH2:34][OH:35].[Cl:29][CH:30]([Cl:31])[CH3:32].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6](-[c:9]3[cH:10][c:11]([O:15][CH2:16][CH:17]4[O:18][CH2:19]4)[cH:12][cH:13][cH:14]3)[n:7][o:8]2)[cH:20][cH:21]1.[s:22]1[c:23]([CH2:27][NH2:28])[cH:24][cH:25][cH:26]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6](-[c:9]3[cH:10][c:11]([O:15][CH2:16][CH:17]([OH:18])[CH2:19][NH:28][CH2:27][c:23]4[s:22][cH:26][cH:25][cH:24]4)[cH:12][cH:13][cH:14]3)[n:7][o:8]2)[cH:20][cH:21]1
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반응물 4

HCID 702EthanolHCID 63651,1-DichloroethaneHCID 34005(2-Thienylmethyl)amineHCID 724658216-Fluoro-3-[3-(oxiran-2-ylmethoxy)phenyl]-1,2-benzoxazole

생성물 1

HCID 694166611-[3-(6-Fluoro-1,2-benzoxazol-3-yl)phenoxy]-3-(thiophen-2-ylmethylamino)propan-2-ol

출처 및 근거

ORD 기록
ord-5170c3829ca548d88421969adf43335b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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