Acetonitrile → HCID 69193086, compound

HRID 1554944Notes

Reaction equation

HRID 1554944 reaction equation
[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:14][C:15]#[N:16].[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[N+:17](=[O:18])([O-:19])[c:20]1[cH:21][cH:22][c:23]([CH2:24][O:25][C:26](=[O:27])[C:28]2=[CH:34][S:33][CH:32]3[N:29]2[C:30](=[O:36])[CH:31]3[Br:35])[cH:37][cH:38]1.[O:1]=[S:2]1(=[O:13])[CH2:3][c:4]2[n:5]([n:8][c:9]([CH:11]=[O:12])[cH:10]2)[CH2:6][CH2:7]1>>[O:1]=[S:2]1(=[O:13])[CH2:3][c:4]2[n:5]([n:8][c:9]([CH:11]([O:12][C:40]([CH3:39])=[O:41])[C:31]3([Br:35])[C:30](=[O:36])[N:29]4[C:28]([C:26]([O:25][CH2:24][c:23]5[cH:22][cH:21][c:20]([N+:17](=[O:18])[O-:19])[cH:38][cH:37]5)=[O:27])=[CH:34][S:33][CH:32]43)[cH:10]2)[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 210576875,5-Dioxo-4,5,6,7-tetrahydro-5lambda~6~-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehydeHCID 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 69193086HCID 69193086, compound

Sources & evidence

ORD record
ord-2f4abafbfd5b4a898c4e5ee64b12ae2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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