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Ethanol → 3-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzoic acid

HRID 1114949
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HRID 1114949 반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:29])[c:6]([CH3:28])[c:7]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:18]([c:19]3[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]3)[OH:27])[cH:16][cH:17]2)[cH:8][cH:9]1.[CH3:32][CH2:33][OH:34].[K+:31].[OH-:30].[OH2:35]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:29])[c:6]([CH3:28])[c:7]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:18]([c:19]3[cH:20][c:21]([C:22](=[O:30])[OH:35])[cH:24][cH:25][cH:26]3)[OH:27])[cH:16][cH:17]2)[cH:8][cH:9]1
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참가 물질

6

반응물 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 666995203-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzonitrile

생성물 1

HCID 578843973-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzoic acid

출처 및 근거

ORD 기록
ord-6d3636dbd42c4d73b23016b15fe0b82f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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