Hydrochloric Acid → HCID 23111458, compound

HRID 2349159Notes

Reaction equation

HRID 2349159 reaction equation
[C:17]([Cl:18])(=[O:19])[CH2:20][CH:21]([CH3:22])[CH3:23].[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1.[ClH:1].[ClH:2].[F:24][c:25]1[c:26]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1.[c:40]1([CH2:46][CH2:47][C:48](=[O:49])[Cl:50])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[F:24][c:25]1[c:26]([N:34]2[CH2:35][CH2:36][N:37]([C:48]([CH2:47][CH2:46][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)=[O:49])[CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 64801Benzenepropanoyl chlorideHCID 66054Isovaleryl chlorideHCID 2697221-(4-Methoxyphenyl)piperazineHCID 231114921-(2,5-Difluoro-4-methoxyphenyl)piperazine

Product 1

HCID 23111458HCID 23111458, compound

Sources & evidence

ORD record
ord-1b1baf35ecda4776822f90b87f3f7997
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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