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Hydrochloric Acid → HCID 178493043, 화합물

HRID 1231126
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HRID 1231126 반응식
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:91][CH2:92][O:93][C:94]([CH3:95])=[O:96].[CH:1]1([CH:4]([C:5](=[O:6])[OH:7])[NH:8][C:9](=[O:10])[c:11]2[cH:12][n:13]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[c:14]3[n:15][cH:16][c:17](-[c:20]4[cH:21][c:22]5[n:23][cH:24][cH:25][c:26]([O:29][CH3:30])[c:27]5[s:28]4)[n:18][c:19]23)[CH2:2][CH2:3]1.[ClH:46].[NH:47]1[CH2:48][CH:49]([C:51]#[N:52])[CH2:50]1.[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][P+:62]([N:63]2[CH2:64][CH2:65][CH2:66][CH2:67]2)([N:68]2[CH2:69][CH2:70][CH2:71][CH2:72]2)[N:73]2[CH2:74][CH2:75][CH2:76][CH2:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[CH:1]1([CH:4]([C:5](=[O:7])[N:47]2[CH2:48][CH:49]([C:51]#[N:52])[CH2:50]2)[NH:8][C:9](=[O:10])[c:11]2[cH:12][n:13]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[c:14]3[n:15][cH:16][c:17](-[c:20]4[cH:21][c:22]5[n:23][cH:24][cH:25][c:26]([O:29][CH3:30])[c:27]5[s:28]4)[n:18][c:19]23)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 221323843-Azetidinecarbonitrile
HCID 67386745
HCID 67386745, 화합물

생성물 1

HCID 178493043HCID 178493043, 화합물

출처 및 근거

ORD 기록
ord-46251544ef6343cfbecf44abcabd80bd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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