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Benzene → 2-[4-[2-[(4-amino-3,5-dichloro-beta-hydroxyphenethyl)amino]propyl]phenoxymethyl]-5-hydroxy-4H-pyran-4-one

HRID 2138729
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HRID 2138729 반응식
[CH2:1]([C:2](=[O:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[o:12][cH:13][c:14]([OH:18])[c:15](=[O:17])[cH:16]2)[cH:19][cH:20]1.[NH2:21][c:22]1[c:23]([Cl:33])[cH:24][c:25]([CH:29]([CH2:30][NH2:31])[OH:32])[cH:26][c:27]1[Cl:28].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH2:1]([CH:2]([CH3:4])[NH:31][CH2:30][CH:29]([c:25]1[cH:24][c:23]([Cl:33])[c:22]([NH2:21])[c:27]([Cl:28])[cH:26]1)[OH:32])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[o:12][cH:13][c:14]([OH:18])[c:15](=[O:17])[cH:16]2)[cH:19][cH:20]1
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반응물 3

HCID 241BenzeneHCID 217242Benzenemethanol, 4-amino-alpha-(aminomethyl)-3,5-dichloro-HCID 198745552-(4-acetonylphenoxymethyl)-5-hydroxy-4H-pyran-4-one

생성물 1

HCID 198745482-[4-[2-[(4-amino-3,5-dichloro-beta-hydroxyphenethyl)amino]propyl]phenoxymethyl]-5-hydroxy-4H-pyran-4-one

출처 및 근거

ORD 기록
ord-c95da64930204c18a40daa98225273bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D
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