Hydrochloric Acid → [1-(4-Cyano-2-{5-[6-(4-{2-[5-(2-methoxycarbonylamino-3-methyl-butyryl)-5-aza-spiro[2.4]hept-6-yl]-3h-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1h-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2,2-dimethyl-propyl]-carbamic acid methyl ester

HRID 2337452Notes

Reaction equation

HRID 2337452 reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[OH:9])[C:10]([CH3:11])([CH3:12])[CH3:13].[CH3:27][O:28][C:29]([NH:30][CH:31]([CH:32]([CH3:33])[CH3:34])[C:35](=[O:36])[N:37]1[CH2:38][C:39]2([CH2:40][CH2:41]2)[CH2:42][CH:43]1[c:44]1[nH:45][c:46](-[c:49]2[cH:50][cH:51][c:52](-[c:55]3[cH:56][c:57]4[cH:58][cH:59][c:60](-[c:65]5[nH:66][c:67]([CH:70]6[NH:71][CH2:72][CH:73]([C:75]#[N:76])[CH2:74]6)[n:68][cH:69]5)[cH:61][c:62]4[cH:63][cH:64]3)[cH:53][cH:54]2)[cH:47][n:48]1)=[O:77].[CH3:78][N:79]1[CH2:80][CH2:81][O:82][CH2:83][CH2:84]1.[CH3:90][CH2:91][O:92][C:93]([CH3:94])=[O:95].[ClH:24].[ClH:25].[ClH:26].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:14][n:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[n:22][n:23]1>>[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:9])[N:71]1[CH:70]([c:67]2[nH:66][c:65](-[c:60]3[cH:59][cH:58][c:57]4[cH:56][c:55](-[c:52]5[cH:51][cH:50][c:49](-[c:46]6[nH:45][c:44]([CH:43]7[N:37]([C:35]([CH:31]([NH:30][C:29]([O:28][CH3:27])=[O:77])[CH:32]([CH3:33])[CH3:34])=[O:36])[CH2:38][C:39]8([CH2:40][CH2:41]8)[CH2:42]7)[n:48][cH:47]6)[cH:54][cH:53]5)[cH:64][cH:63][c:62]4[cH:61]3)[cH:69][n:68]2)[CH2:74][CH:73]([C:75]#[N:76])[CH2:72]1)[C:10]([CH3:11])([CH3:12])[CH3:13]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid3×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 103301332-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acidHCID 66620627methyl N-[1-[6-[5-[4-[6-[2-(4-cyanopyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Product 1

HCID 66621034[1-(4-Cyano-2-{5-[6-(4-{2-[5-(2-methoxycarbonylamino-3-methyl-butyryl)-5-aza-spiro[2.4]hept-6-yl]-3h-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1h-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2,2-dimethyl-propyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-2bcb8b55e36f4668ad406cb70ccbe8d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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