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

HRID 212234Notes

Reaction equation

HRID 212234 reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH3:11].[CH3:25][O:26][C:27]([NH:28][CH:29]([CH:30]([CH3:31])[CH3:32])[C:33](=[O:34])[N:35]1[CH2:36][C:37]2([CH2:38][CH2:39]2)[CH2:40][CH:41]1[c:42]1[nH:43][c:44](-[c:47]2[cH:48][cH:49][c:50](-[c:53]3[cH:54][c:55]4[cH:56][cH:57][c:58](-[c:63]5[nH:64][c:65]([CH:68]6[NH:69][CH2:70][CH:71]([C:73]#[N:74])[CH2:72]6)[n:66][cH:67]5)[cH:59][c:60]4[cH:61][cH:62]3)[cH:51][cH:52]2)[cH:45][n:46]1)=[O:75].[CH3:76][N:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[CH3:88][CH2:89][O:90][C:91]([CH3:92])=[O:93].[ClH:22].[ClH:23].[ClH:24].[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH:12][n:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18][cH:19]2)[n:20][n:21]1>>[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[N:69]1[CH:68]([c:65]2[nH:64][c:63](-[c:58]3[cH:57][cH:56][c:55]4[cH:54][c:53](-[c:50]5[cH:49][cH:48][c:47](-[c:44]6[nH:43][c:42]([CH:41]7[N:35]([C:33]([CH:29]([NH:28][C:27]([O:26][CH3:25])=[O:75])[CH:30]([CH3:31])[CH3:32])=[O:34])[CH2:36][C:37]8([CH2:38][CH2:39]8)[CH2:40]7)[n:46][cH:45]6)[cH:52][cH:51]5)[cH:62][cH:61][c:60]4[cH:59]3)[cH:67][n:66]2)[CH2:72][CH:71]([C:73]#[N:74])[CH2:70]1)[CH2:10][CH3:11]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid3×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 434699742-Methoxycarbonylamino-butyric 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 66621139[1-(6-{5-[4-(6-{2-[4-Cyano-1-(2-methoxycarbonylamino-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl)-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-020e0c04ee4e4759b57160752f5f0e0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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