Dichloromethane → [4-(4-Methyl-piperazine-1-sulfonyl)phenyl]acetic acid ethyl ester

HRID 1221237Notes

Reaction equation

HRID 1221237 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])[Cl:31])[cH:26][cH:27]1)=[O:32].[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH:8]([N:9]([CH2:10][CH3:11])[CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[Cl:33][CH2:34][Cl:35]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([S:28]([c:25]2[cH:24][cH:23][c:22]([CH2:21][C:20]([O:19][CH2:17][CH3:18])=[O:32])[cH:27][cH:26]2)(=[O:29])=[O:30])[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 10467900(4-Chlorosulfonyl-phenyl)-acetic acid ethyl ester

Product 1

HCID 44473999[4-(4-Methyl-piperazine-1-sulfonyl)phenyl]acetic acid ethyl ester

Sources & evidence

ORD record
ord-a82da3ee77f240bf8ec6a721e5b53605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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