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Hydrochloric Acid → tert-butyl N-[3-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)-2-pyridinyl]ethylamino]-1-oxobutan-2-yl]carbamate

HRID 670540
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인쇄 미리보기

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HRID 670540 반응식
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH:10]([OH:11])[CH3:12])[C:13](=[O:14])[OH:15].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][n:27][c:28]([CH:31]([CH3:32])[NH2:33])[cH:29][cH:30]2)[cH:23][n:24]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[ClH:16].[ClH:17].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH:10]([OH:11])[CH3:12])[C:13](=[O:15])[NH:33][CH:31]([c:28]1[n:27][cH:26][c:25](-[c:22]2[cH:21][cH:20][c:19]([CH3:18])[n:24][cH:23]2)[cH:30][cH:29]1)[CH3:32]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 100116N-(tert-butyloxycarbonyl)-L-threonineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 77304912
1-[5-(6-Methyl-3-pyridinyl)-2-pyridinyl]ethanamine

생성물 1

HCID 77492539tert-butyl N-[3-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)-2-pyridinyl]ethylamino]-1-oxobutan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-3ecf221534134bbb91a65c216fc77806
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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