Hydrochloric Acid → benzyl N-[4-[[[2-[2,6-difluoro-4-(2-methylpropylcarbamoyl)phenyl]-2-ethoxyacetyl]amino]methyl]benzenecarboximidoyl]carbamate

HRID 1566367Notes

Reaction equation

HRID 1566367 reaction equation
[B-:46]([F:47])([F:48])([F:49])[F:50].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][C:33]([NH:34][C:35](=[NH:36])[c:37]1[cH:38][cH:39][c:40]([CH2:43][NH2:44])[cH:41][cH:42]1)=[O:45].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[ClH:23].[ClH:24].[F:1][c:2]1[c:3]([CH:16]([C:17](=[O:18])[OH:19])[O:20][CH2:21][CH3:22])[c:4]([F:15])[cH:5][c:6]([C:8]([NH:9][CH2:10][CH:11]([CH3:12])[CH3:13])=[O:14])[cH:7]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[F:1][c:2]1[c:3]([CH:16]([C:17](=[O:19])[NH:44][CH2:43][c:40]2[cH:39][cH:38][c:37]([C:35]([NH:34][C:33]([O:32][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:45])=[NH:36])[cH:42][cH:41]2)[O:20][CH2:21][CH3:22])[c:4]([F:15])[cH:5][c:6]([C:8]([NH:9][CH2:10][CH:11]([CH3:12])[CH3:13])=[O:14])[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 21905565(RS)-(2,6-difluoro-4-isobutylcarbamoyl-phenyl)-ethoxy-acetic acidHCID 138391585N-Cbz-4-(aminomethyl)benzamidine

Product 1

HCID 140474502benzyl N-[4-[[[2-[2,6-difluoro-4-(2-methylpropylcarbamoyl)phenyl]-2-ethoxyacetyl]amino]methyl]benzenecarboximidoyl]carbamate

Sources & evidence

ORD record
ord-41d7578b43c542a690d50aa47f851698
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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