Hydrochloric Acid → HCID 91125355, compound

HRID 1218775Notes

Reaction equation

HRID 1218775 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22](=[O:23])[OH:24].[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[ClH:36].[F:57][C:58]([F:59])([F:60])[C:61]([OH:62])=[O:63].[NH2:64][CH:65]([CH3:66])[C:67](=[O:68])[O:69][CH2:70][CH2:71][O:72][c:73]1[cH:74][cH:75][c:76](-[c:79]2[c:80]([C:105]#[N:106])[c:81]([S:91][CH2:92][c:93]3[n:94][c:95](-[c:98]4[cH:99][cH:100][c:101]([Cl:104])[cH:102][cH:103]4)[s:96][cH:97]3)[n:82][c:83]([NH:87][CH2:88][CH2:89][CH3:90])[c:84]2[C:85]#[N:86])[cH:77][cH:78]1.[O:107]=[CH:108][N:109]([CH3:110])[CH3:111].[OH2:112].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22](=[O:24])[NH:64][CH:65]([CH3:66])[C:67](=[O:68])[O:69][CH2:70][CH2:71][O:72][c:73]1[cH:74][cH:75][c:76](-[c:79]2[c:80]([C:105]#[N:106])[c:81]([S:91][CH2:92][c:93]3[n:94][c:95](-[c:98]4[cH:99][cH:100][c:101]([Cl:104])[cH:102][cH:103]4)[s:96][cH:97]3)[n:82][c:83]([NH:87][CH2:88][CH2:89][CH3:90])[c:84]2[C:85]#[N:86])[cH:77][cH:78]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2949042,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acidHCID 75232335HCID 75232335, compound

Product 1

HCID 91125355HCID 91125355, compound

Sources & evidence

ORD record
ord-b63d05ba9a3a466ea3a9a395f210f5f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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