Ammonium → 3-Cyclopentyl-2-[4-(4-methyl-piperazine-1-sulfonyl)phenyl]propionic acid ethyl ester

HRID 212044Notes

Reaction equation

HRID 212044 reaction equation
[CH2:17]([CH3:18])[O:19][C:20]([CH2:21][c:22]1[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[N:31]2[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]2)[cH:26][cH:27]1)=[O:38].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:12][CH2:13][CH2:14][CH2:15][Li:16].[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][N:63]([CH3:64])[C:65]1=[O:66].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH:39]1([CH2:44][I:45])[CH2:40][CH2:41][CH2:42][CH2:43]1.[Cl-:46].[N:10]#[N:11].[NH4+:47]>>[CH2:17]([CH3:18])[O:19][C:20]([CH:21]([c:22]1[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[N:31]2[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]2)[cH:26][cH:27]1)[CH2:44][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1)=[O:38]

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 947NitrogenHCID 8028Tetrahydrofuran2×HCID 81531DiisopropylethylamineHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 2762531(Iodomethyl)cyclopentaneHCID 44473999[4-(4-Methyl-piperazine-1-sulfonyl)phenyl]acetic acid ethyl esterHCID 178418339Butyllithium

Product 1

HCID 444735283-Cyclopentyl-2-[4-(4-methyl-piperazine-1-sulfonyl)phenyl]propionic acid ethyl ester

Sources & evidence

ORD record
ord-439267058b5d4ccaa44be7cc5e61b74b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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