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Benzene → Methyl 2-[4-[2-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]propoxy]phenyl]acetate

HRID 1238656
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HRID 1238656 반응식
[C:35]([BH3-:36])#[N:37].[CH3:39][OH:40].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH2:11][OH:12].[Na+:38].[O:13]=[C:14]([CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:21][cH:22]1)[CH3:28].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH2:11][OH:12])[CH:14]([CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:21][cH:22]1)[CH3:28]
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HCID 241BenzeneHCID 887MethanolHCID 923Sodium IonHCID 1029712-Amino-1-phenyl-1,3-propanediolHCID 498716Cyano-borohydrideHCID 21832178Methyl 4-(2-oxopropoxy)phenylacetate

생성물 1

HCID 21832181Methyl 2-[4-[2-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]propoxy]phenyl]acetate

출처 및 근거

ORD 기록
ord-b56d33e9aed34d8d84ef51cc7d83345a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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