Acetonitrile → HCID 69193784, compound

HRID 1230807Notes

Reaction equation

HRID 1230807 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:1][C:2]#[N:3].[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][cH:19][c:20]([CH2:21][O:22][C:23](=[O:24])[C:25]2=[CH:31][S:30][CH:29]3[N:26]2[C:27](=[O:33])[CH:28]3[Br:32])[cH:34][cH:35]1.[o:4]1[c:5]2[c:6]([cH:7][c:8]1[CH:9]=[O:10])[CH2:11][CH2:12][CH2:13]2>>[o:4]1[c:5]2[c:6]([cH:7][c:8]1[CH:9]([O:10][C:37]([CH3:36])=[O:38])[C:28]1([Br:32])[C:27](=[O:33])[N:26]3[C:25]([C:23]([O:22][CH2:21][c:20]4[cH:19][cH:18][c:17]([N+:14](=[O:15])[O-:16])[cH:35][cH:34]4)=[O:24])=[CH:31][S:30][CH:29]31)[CH2:11][CH2:12][CH2:13]2

Participants

9

Reactant 8

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 21941405HCID 21941405, 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 69193784HCID 69193784, compound

Sources & evidence

ORD record
ord-e4069e82e7634043af2efcecd24622e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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