Dimethylformamide → (1,1-Dimethylethyl) [[4-[[2-[2-(aminocarbonyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-piperazinyl]acetyl]amino]-3,5-dichlorophenyl]methyl]carbamate

HRID 108914Notes

Reaction equation

HRID 108914 reaction equation
[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:29][c:30]1[cH:31][c:32]([CH2:42][NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[cH:33][c:34]([Cl:41])[c:35]1[NH:36][C:37]([CH2:38][Cl:39])=[O:40].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH:15]([C:19](=[O:20])[NH2:21])[NH:16][CH2:17][CH2:18]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH:15]([C:19](=[O:20])[NH2:21])[N:16]([CH2:38][C:37]([NH:36][c:35]3[c:30]([Cl:29])[cH:31][c:32]([CH2:42][NH:43][C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[cH:33][c:34]3[Cl:41])=[O:40])[CH2:17][CH2:18]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 147225494-[5,5-Bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamideHCID 14722566(1,1-Dimethylethyl) [[3,5-dichloro-4-[(2-chloroacetyl)amino]phenyl)methyl)carbamate

Product 1

HCID 14722567(1,1-Dimethylethyl) [[4-[[2-[2-(aminocarbonyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-piperazinyl]acetyl]amino]-3,5-dichlorophenyl]methyl]carbamate

Sources & evidence

ORD record
ord-815a6b0d1e1f4249be3a6aa17cf7f6bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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