Acetonitrile → HCID 178475894, compound

HRID 696234Notes

Reaction equation

HRID 696234 reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:15][C:16]#[N:17].[CH3:40][C:41](=[O:42])[O:43][C:44](=[O:45])[CH3:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[N+:18](=[O:19])([O-:20])[c:21]1[cH:22][cH:23][c:24]([CH2:25][O:26][C:27](=[O:28])[C:29]2=[CH:35][S:34][CH:33]3[N:30]2[C:31](=[O:37])[CH:32]3[Br:36])[cH:38][cH:39]1.[n:1]1[c:2]([CH:13]=[O:14])[cH:3][n:4]2[c:5]1[n:6][c:7]1[n:12]2[CH2:11][CH2:10][CH2:9][CH2:8]1>>[n:1]1[c:2]([CH:13]([O:14][C:41]([CH3:40])=[O:42])[C:32]2([Br:36])[C:31](=[O:37])[N:30]3[C:29]([C:27]([O:26][CH2:25][c:24]4[cH:23][cH:22][c:21]([N+:18](=[O:19])[O-:20])[cH:39][cH:38]4)=[O:28])=[CH:35][S:34][CH:33]32)[cH:3][n:4]2[c:5]1[n:6][c:7]1[n:12]2[CH2:11][CH2:10][CH2:9][CH2:8]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 222244644,5,6,7-Tetrahydro-1,3a,3b,8-tetraaza-cyclopenta[a]indene-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 178475894HCID 178475894, compound

Sources & evidence

ORD record
ord-af42dac8215249ceb6235d3984591b84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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