Acetonitrile → HCID 54017315, compound

HRID 139753Notes

Reaction equation

HRID 139753 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[OH:29])[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1.[CH3:41][C:42]#[N:43].[OH:32][CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[N:38]3[CH2:37][CH2:36][N:35]([CH2:34][CH2:33][OH:32])[CH2:40][CH2:39]3)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 76771-(2-Hydroxyethyl)piperazineHCID 186998144-[(4-Methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid

Product 1

HCID 54017315HCID 54017315, compound

Sources & evidence

ORD record
ord-049055c6ed8e460392fd88f6f1df3b46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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