Hydrochloric Acid → [2-Methyl-1-(2-{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester

HRID 92303Notes

Reaction equation

HRID 92303 reaction equation
[CH3:60][O:61][C:62](=[O:63])[NH:64][CH:65]([C:66](=[O:67])[OH:68])[CH:69]([CH3:70])[CH3:71].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:10].[NH:11]1[CH:12]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([B:27]4[O:28][C:29]([CH3:34])([CH3:35])[C:30]([CH3:32])([CH3:33])[O:31]4)[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[N:11]1([C:66]([CH:65]([NH:64][C:62]([O:61][CH3:60])=[O:63])[CH:69]([CH3:70])[CH3:71])=[O:67])[CH:12]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([B:27]4[O:28][C:29]([CH3:34])([CH3:35])[C:30]([CH3:32])([CH3:33])[O:31]4)[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 138211012-((Methoxycarbonyl)amino)-3-methylbutanoic acidHCID 666204982-pyrrolidin-2-yl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole

Product 1

HCID 66619939[2-Methyl-1-(2-{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-b2f6ae6ee9f7490da18f80d38ea95dad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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