Acetonitrile → HCID 178491668, compound

HRID 2330707Notes

Reaction equation

HRID 2330707 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.[CH3:67][C:68]#[N:69].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[N+:46](=[O:47])([O-:48])[c:49]1[cH:50][cH:51][c:52]([CH2:53][O:54][C:55](=[O:56])[CH2:57][N:58]2[CH2:59][CH2:60][NH:61][CH2:62][CH2:63][CH2:64]2)[cH:65][cH:66]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:29])[N:61]3[CH2:60][CH2:59][N:58]([CH2:57][C:55]([O:54][CH2:53][c:52]4[cH:51][cH:50][c:49]([N+:46](=[O:47])[O-:48])[cH:66][cH:65]4)=[O:56])[CH2:64][CH2:63][CH2:62]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

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acid2×HCID 81531DiisopropylethylamineHCID 186998144-[(4-Methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acidHCID 19934464HCID 19934464, compound

Product 1

HCID 178491668HCID 178491668, compound

Sources & evidence

ORD record
ord-5f690d1582f343628eaf26df5ce64532
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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