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Hydrochloric Acid → HCID 70862428, 화합물

HRID 169976
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HRID 169976 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:17])([CH3:18])[O:10][CH2:11][C:12]1([C:13](=[O:14])[OH:15])[CH3:16].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[ClH:52].[NH2:53][CH2:54][C:55](=[O:56])[c:57]1[cH:58][c:59]([C:72]([F:73])([F:74])[F:75])[c:60]([O:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[cH:61][cH:62]1.[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:17])([CH3:18])[O:10][CH2:11][C:12]1([C:13](=[O:15])[NH:53][CH2:54][C:55](=[O:56])[c:57]1[cH:58][c:59]([C:72]([F:73])([F:74])[F:75])[c:60]([O:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[cH:61][cH:62]1)[CH3:16]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 230022953-(tert-Butoxycarbonyl)-2,2,4-trimethyloxazolidine-4-carboxylic acid
HCID 59384436
HCID 59384436, 화합물

생성물 1

HCID 70862428HCID 70862428, 화합물

출처 및 근거

ORD 기록
ord-3a5f5745eb9c431bb8e169c0f8c9af44
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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