Acetonitrile → HCID 178475819, compound

HRID 111457Notes

Reaction equation

HRID 111457 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:1][C:2]#[N:3].[CH3:41][C:42](=[O:43])[O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[N+:19](=[O:20])([O-:21])[c:22]1[cH:23][cH:24][c:25]([CH2:26][O:27][C:28](=[O:29])[C:30]2=[CH:36][S:35][CH:34]3[N:31]2[C:32](=[O:38])[CH:33]3[Br:37])[cH:39][cH:40]1.[S:4]1[CH2:5][CH2:6][CH2:7][n:8]2[c:9]3[cH:10][c:11]([CH:17]=[O:18])[cH:12][cH:13][c:14]3[n:15][c:16]21>>[S:4]1[CH2:5][CH2:6][CH2:7][n:8]2[c:9]3[cH:10][c:11]([CH:17]([O:18][C:42]([CH3:41])=[O:43])[C:33]4([Br:37])[C:32](=[O:38])[N:31]5[C:30]([C:28]([O:27][CH2:26][c:25]6[cH:24][cH:23][c:22]([N+:19](=[O:20])[O-:21])[cH:40][cH:39]6)=[O:29])=[CH:36][S:35][CH:34]54)[cH:12][cH:13][c:14]3[n:15][c:16]21

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 222244403,4-Dihydro-2H-1-thia-4a,9-diaza-fluorene-6-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 178475819HCID 178475819, compound

Sources & evidence

ORD record
ord-dea0617070a54cf6931cd9089475069d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…