Acetonitrile → HCID 178470154, compound

HRID 2139643Notes

Reaction equation

HRID 2139643 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:6][c:7]2[cH:8][c:9]([F:17])[c:10]([N+:14](=[O:15])[O-:16])[cH:11][c:12]2[n:13]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[F:23][C:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]1[n:30][cH:31][nH:32][cH:33]1)([F:34])[F:35]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:6][c:7]2[cH:8][c:9](-[c:31]3[n:30][c:29]([CH2:28][NH:27][C:25]([C:24]([F:23])([F:34])[F:35])=[O:26])[cH:33][nH:32]3)[c:10]([N+:14](=[O:15])[O-:16])[cH:11][c:12]2[n:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 18008883HCID 18008883, compoundHCID 178523076HCID 178523076, compound

Product 1

HCID 178470154HCID 178470154, compound

Sources & evidence

ORD record
ord-3dbf0915c1f144ef95751486ca2c86aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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