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Acetic Acid → N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-phenyl-thiazol-4-yl)ethanamine

HRID 179299
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반응식

HRID 179299 반응식
[C:16](=[O:17])([O:18][CH3:19])[CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH2:28][C:29]([CH3:30])=[O:31])[cH:26][cH:27]1.[C:36]([BH3-:37])#[N:38].[C:41](=[O:42])([OH:43])[O-:44].[CH3:32][C:33](=[O:34])[OH:35].[CH3:46][OH:47].[ClH:40].[Na+:39].[Na+:45].[OH:1][CH:2]([CH2:3][NH2:4])[c:5]1[n:6][c:7](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[s:8][cH:9]1>>[OH:1][CH:2]([CH2:3][NH:4][CH:29]([CH2:28][c:25]1[cH:24][cH:23][c:22]([O:21][CH2:20][C:16](=[O:17])[O:18][CH3:19])[cH:27][cH:26]1)[CH3:30])[c:5]1[n:6][c:7](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[s:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 498716Cyano-borohydrideHCID 13851156Methyl 2-(4-(2-oxopropyl)phenoxy)acetate
HCID 14076241
2-Hydroxy-2-(2-phenyl-thiazol-4-yl)ethanamine

생성물 1

HCID 19974288N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-phenyl-thiazol-4-yl)ethanamine

출처 및 근거

ORD 기록
ord-58fa0a7b4e0e49fb81ea555c84f629ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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