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Ethanol → 2-[3-[3-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenoxy]acetic acid

HRID 140244
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HRID 140244 반응식
[CH3:62][CH2:63][OH:64].[Cl:1][c:2]1[cH:3][c:4]([CH:5]([OH:6])[CH2:7][NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[O:20][CH2:21][C:22]([O-:23])=[O:24])[CH2:25]2)[cH:26][cH:27][cH:28]1.[Cl:30][c:31]1[cH:32][c:33]([CH:37]([CH2:38][NH:39][CH:40]2[CH2:41][CH:42]([c:46]3[cH:47][c:48]([O:52][CH2:53][C:54](=[O:55])[O:56][CH2:57][CH3:58])[cH:49][cH:50][cH:51]3)[CH2:43][CH2:44][CH2:45]2)[OH:59])[cH:34][cH:35][cH:36]1.[Na+:29].[Na+:61].[OH-:60]>>[Cl:30][c:31]1[cH:32][c:33]([CH:37]([CH2:38][NH:39][CH:40]2[CH2:41][CH:42]([c:46]3[cH:47][c:48]([O:52][CH2:53][C:54](=[O:55])[OH:56])[cH:49][cH:50][cH:51]3)[CH2:43][CH2:44][CH2:45]2)[OH:59])[cH:34][cH:35][cH:36]1
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반응물 5

HCID 702EthanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 18784146HCID 18784146, 화합물HCID 187841622-[2-[3-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenoxy]acetate

생성물 1

HCID 219107652-[3-[3-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenoxy]acetic acid

출처 및 근거

ORD 기록
ord-7ffda8b88ee943e5a436dd177c249ee1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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