Hydrochloric Acid → HCID 68617266, compound

HRID 194054Notes

Reaction equation

HRID 194054 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[O:35][CH3:36])[CH:29]([CH:31]=[CH2:32])[CH2:30]2)=[O:37])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[C:46]([CH3:47])([CH3:48])([CH3:49])[O:50][C:51](=[O:52])[NH:53][CH:54]([C:55](=[O:56])[OH:57])[CH:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[CH2:97]1[O:98][CH2:99][CH2:100][CH2:101]1.[CH3:102][CH2:103][O:104][C:105]([CH3:106])=[O:107].[CH:88]([N:89]([CH2:90][CH3:91])[CH:92]([CH3:93])[CH3:94])([CH3:95])[CH3:96].[ClH:38].[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[P-:64]([F:65])([F:66])([F:67])([F:68])([F:69])[F:70].[n:71]1([O:72][C:73]([N:74]([CH3:75])[CH3:76])=[N+:77]([CH3:78])[CH3:79])[c:80]2[n:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[N:8]1([C:55]([CH:54]([NH:53][C:51]([O:50][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:52])[CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)=[O:56])[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[O:35][CH3:36])[CH:29]([CH:31]=[CH2:32])[CH2:30]2)=[O:37])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 35593192-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68615943HCID 68615943, compound

Product 1

HCID 68617266HCID 68617266, compound

Sources & evidence

ORD record
ord-1cab0a89d68b44649b5ff63e98f5931d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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