Hydrochloric Acid → HCID 178494472, compound

HRID 2127422Notes

Reaction equation

HRID 2127422 reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[CH:13]([c:18]2[n:19][c:20]3[c:21]([nH:22]2)[c:23]2[cH:24][c:25]4[c:26]([cH:27][c:28]2[cH:29][cH:30]3)-[c:31]2[cH:32][cH:33][c:34](-[c:39]3[cH:40][n:41][c:42]([CH:44]5[N:45]([C:52]([O:54][C:53]([CH3:55])([CH3:56])[CH3:57])=[O:58])[CH2:46][CH:47]([CH2:49][O:50][CH3:51])[CH2:48]5)[nH:43]3)[cH:35][c:36]2[CH2:37][O:38]4)[CH2:14][CH2:15][CH:16]1[CH3:17].[CH3:59][O:60][C:61](=[O:62])[NH:63][CH:64]([C:65]([OH:66])=[O:67])[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH3:84][CH2:85][OH:86].[CH:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH2:79][CH3:80])([CH3:81])[CH3:82].[ClH:83]>>[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[CH:13]([c:18]2[n:19][c:20]3[c:21]([nH:22]2)[c:23]2[cH:24][c:25]4[c:26]([cH:27][c:28]2[cH:29][cH:30]3)-[c:31]2[cH:32][cH:33][c:34](-[c:39]3[cH:40][n:41][c:42]([CH:44]5[N:45]([C:52](=[O:54])[CH:64]([NH:63][C:61]([O:60][CH3:59])=[O:62])[c:68]6[cH:69][cH:70][cH:71][cH:72][cH:73]6)[CH2:46][CH:47]([CH2:49][O:50][CH3:51])[CH2:48]5)[nH:43]3)[cH:35][c:36]2[CH2:37][O:38]4)[CH2:14][CH2:15][CH:16]1[CH3:17]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 81531DiisopropylethylamineHCID 596264N-Methoxycarbonyl-2-phenylglycineHCID 178494474(2S,4S)-tert-Butyl 2-(5-(2-((2S,5S)-1-((S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochro meno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate

Product 1

HCID 178494472HCID 178494472, compound

Sources & evidence

ORD record
ord-086de1ba34d14e82946cf6dcf9793114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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