Acetonitrile → HCID 68491233, compound

HRID 2140733Notes

Reaction equation

HRID 2140733 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11]([cH:14][c:15]([CH:17]=[O:18])[n:16]2)[CH2:12][CH2:13]1.[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:19][C:20]#[N:21].[CH3:44][C:45](=[O:46])[O:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][cH:27][c:28]([CH2:29][O:30][C:31](=[O:32])[C:33]2=[CH:39][S:38][CH:37]3[N:34]2[C:35](=[O:41])[CH:36]3[Br:40])[cH:42][cH:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11]([cH:14][c:15]([CH:17]([O:18][C:45]([CH3:44])=[O:46])[C:36]3([Br:40])[C:35](=[O:41])[N:34]4[C:33]([C:31]([O:30][CH2:29][c:28]5[cH:27][cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:43][cH:42]5)=[O:32])=[CH:39][S:38][CH:37]43)[n:16]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 21941423HCID 21941423, compoundHCID 684433356-Bromo-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

Product 1

HCID 68491233HCID 68491233, compound

Sources & evidence

ORD record
ord-2825c612ec7d479a8ca9991cd276eb76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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