Hydrochloric Acid → 2-(aminocarbonyl)-N-(4-(aminomethyl)-2,6-dichlorophenyl]-4-[5,5-bis(4-fluorophenyl)pentyl]-1-piperazineacetamide

HRID 1147110Notes

Reaction equation

HRID 1147110 reaction equation
[CH3:50][OH:51].[CH3:53][CH:54]([OH:55])[CH3:56].[ClH:52].[NH2:1][C:2](=[O:3])[CH:4]1[N:5]([CH2:29][C:30](=[O:31])[NH:32][c:33]2[c:34]([Cl:49])[cH:35][c:36]([CH2:40][NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:37][c:38]2[Cl:39])[CH2:6][CH2:7][N:8]([CH2:10][CH2:11][CH2:12][CH2:13][CH:14]([c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[CH2:9]1>>[NH2:1][C:2](=[O:3])[CH:4]1[N:5]([CH2:29][C:30](=[O:31])[NH:32][c:33]2[c:34]([Cl:49])[cH:35][c:36]([CH2:40][NH2:41])[cH:37][c:38]2[Cl:39])[CH2:6][CH2:7][N:8]([CH2:10][CH2:11][CH2:12][CH2:13][CH:14]([c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[CH2:9]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3776IsopropanolHCID 14722567(1,1-Dimethylethyl) [[4-[[2-[2-(aminocarbonyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-piperazinyl]acetyl]amino]-3,5-dichlorophenyl]methyl]carbamate

Product 1

HCID 147226602-(aminocarbonyl)-N-(4-(aminomethyl)-2,6-dichlorophenyl]-4-[5,5-bis(4-fluorophenyl)pentyl]-1-piperazineacetamide

Sources & evidence

ORD record
ord-cb662da2da4249e48c178d267df02162
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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