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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,2-Dichloroethane → 3-(2,2-difluoro-1-hydroxyethyl)-5-(2,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

HRID 168109
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HRID 168109 반응식
[C:43](=[O:44])([OH:45])[O-:46].[CH2:32]([Cl:33])[CH2:34][Cl:35].[CH3:23][c:24]1[n:25][o:26][c:27]([CH:29]([CH3:30])[NH2:31])[n:28]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[F:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([C:19](=[O:20])[OH:21])[cH:8][c:9](-[c:11]2[c:12]([F:18])[cH:13][c:14]([F:17])[cH:15][cH:16]2)[cH:10]1)[F:22].[Na+:47]>>[F:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([C:19](=[O:20])[NH:31][CH:29]([c:27]2[o:26][n:25][c:24]([CH3:23])[n:28]2)[CH3:30])[cH:8][c:9](-[c:11]2[c:12]([F:18])[cH:13][c:14]([F:17])[cH:15][cH:16]2)[cH:10]1)[F:22]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8471TriethylamineHCID 431068281-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamineHCID 684984575-(2,2-Difluoro-1-hydroxyethyl)-2',4'-difluorobiphenyl-3-carboxylic acid

생성물 1

HCID 748171463-(2,2-difluoro-1-hydroxyethyl)-5-(2,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

출처 및 근거

ORD 기록
ord-208c34df8c4c4632873ecbe3a8fe442b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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