Hydrochloric Acid → HCID 77568776, compound

HRID 1566149Notes

Reaction equation

HRID 1566149 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH2:12][CH3:13])[C:14](=[O:15])[OH:16].[CH3:18][N:19]([CH3:20])[CH2:21][CH2:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH3:28].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:17].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[NH2:56][CH:57]([CH3:58])[C:59](=[O:60])[O:61][CH2:62][CH2:63][O:64][c:65]1[cH:66][cH:67][c:68](-[c:71]2[c:72]([C:98]#[N:99])[c:73]([S:84][CH2:85][c:86]3[n:87][c:88](-[c:91]4[cH:92][cH:93][c:94]([Cl:97])[cH:95][cH:96]4)[s:89][cH:90]3)[n:74][c:75]([N:79]3[CH2:80][CH2:81][CH2:82][CH2:83]3)[c:76]2[C:77]#[N:78])[cH:69][cH:70]1.[O:100]=[CH:101][N:102]([CH3:103])[CH3:104].[OH2:29].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH2:12][CH3:13])[C:14](=[O:16])[NH:56][CH:57]([CH3:58])[C:59](=[O:60])[O:61][CH2:62][CH2:63][O:64][c:65]1[cH:66][cH:67][c:68](-[c:71]2[c:72]([C:98]#[N:99])[c:73]([S:84][CH2:85][c:86]3[n:87][c:88](-[c:91]4[cH:92][cH:93][c:94]([Cl:97])[cH:95][cH:96]4)[s:89][cH:90]3)[n:74][c:75]([N:79]3[CH2:80][CH2:81][CH2:82][CH2:83]3)[c:76]2[C:77]#[N:78])[cH:69][cH:70]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4336232-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acidHCID 77568923HCID 77568923, compound

Product 1

HCID 77568776HCID 77568776, compound

Sources & evidence

ORD record
ord-558679fca545401e89975aad042b1a2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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