Acetonitrile → HCID 23003068, compound

HRID 214501Notes

Reaction equation

HRID 214501 reaction equation
[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])([O:8][C:7]([O-:9])=[O:10])=[O:11].[CH3:12][c:13]1[c:14]([O:15][c:16]2[cH:17][c:18]3[c:19]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[n:20][nH:21][c:22]3[cH:23][cH:24]2)[c:30]([CH3:37])[cH:31][c:32]([N+:34](=[O:35])[O-:36])[cH:33]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[CH3:65][C:66]#[N:67].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:8])[n:21]1[n:20][c:19]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[c:18]2[cH:17][c:16]([O:15][c:14]3[c:13]([CH3:12])[cH:33][c:32]([N+:34](=[O:35])[O-:36])[cH:31][c:30]3[CH3:37])[cH:24][cH:23][c:22]21

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 22064466Tert-butyldicarbonateHCID 178442320HCID 178442320, compound

Product 1

HCID 23003068HCID 23003068, compound

Sources & evidence

ORD record
ord-20f6b9cf6d064656bb44555d06c5fbff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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