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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dichloromethane → rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (6-acetylamino-pyridin-3-yl)-amide

HRID 809955
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인쇄 미리보기

반응식

HRID 809955 반응식
[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[Cl:83][CH2:84][Cl:85].[Cl:8][c:9]1[c:10]([F:38])[c:11]([CH:15]2[CH:16]([C:35](=[O:36])[OH:37])[NH:17][CH:18]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:19]2([C:20]#[N:21])[c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:39][c:40]1[cH:41][cH:42][c:43]([NH:46][C:47]([CH3:48])=[O:49])[n:44][cH:45]1.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[Cl:8][c:9]1[c:10]([F:38])[c:11]([CH:15]2[CH:16]([C:35](=[O:36])[NH:39][c:40]3[cH:41][cH:42][c:43]([NH:46][C:47]([CH3:48])=[O:49])[n:44][cH:45]3)[NH:17][CH:18]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:19]2([C:20]#[N:21])[c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:12][cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27352192-Acetamido-5-aminopyridineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 66688251
3-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid

생성물 1

HCID 72243893rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (6-acetylamino-pyridin-3-yl)-amide

출처 및 근거

ORD 기록
ord-8e153db605444d7fb6e86873afcc4ab8
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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