Hydrochloric Acid → HCID 178446625, compound

HRID 667049Notes

Reaction equation

HRID 667049 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[OH:12].[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH3:24].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:13].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[NH2:52][CH:53]([CH2:54][CH:55]([CH3:56])[CH3:57])[C:58](=[O:59])[O:60][CH2:61][CH2:62][O:63][c:64]1[cH:65][cH:66][c:67](-[c:70]2[c:71]([C:97]#[N:98])[c:72]([S:83][CH2:84][c:85]3[n:86][c:87](-[c:90]4[cH:91][cH:92][c:93]([Cl:96])[cH:94][cH:95]4)[s:88][cH:89]3)[n:73][c:74]([N:78]3[CH2:79][CH2:80][CH2:81][CH2:82]3)[c:75]2[C:76]#[N:77])[cH:68][cH:69]1.[O:99]=[CH:100][N:101]([CH3:102])[CH3:103].[OH2:104].[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][CH2:9][C:10](=[O:12])[NH:52][CH:53]([CH2:54][CH:55]([CH3:56])[CH3:57])[C:58](=[O:59])[O:60][CH2:61][CH2:62][O:63][c:64]1[cH:65][cH:66][c:67](-[c:70]2[c:71]([C:97]#[N:98])[c:72]([S:83][CH2:84][c:85]3[n:86][c:87](-[c:90]4[cH:91][cH:92][c:93]([Cl:96])[cH:94][cH:95]4)[s:88][cH:89]3)[n:73][c:74]([N:78]3[CH2:79][CH2:80][CH2:81][CH2:82]3)[c:75]2[C:76]#[N:77])[cH:68][cH:69]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 78288N-(tert-butoxycarbonyl)glycineHCID 81531DiisopropylethylamineHCID 777981782-[4-[2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3,5-dicyano-6-pyrrolidin-1-yl-4-pyridinyl]phenoxy]ethyl 2-amino-4-methylpentanoate

Product 1

HCID 178446625HCID 178446625, compound

Sources & evidence

ORD record
ord-fd875d111c584f7aa99d633bc4edf0a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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