Acetonitrile → HCID 68516290, compound

HRID 172938Notes

Reaction equation

HRID 172938 reaction equation
[CH3:35][C:36]#[N:37].[CH:21]1([NH2:24])[CH2:22][CH2:23]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][n:12][c:13]([C:18](=[O:19])[OH:20])[c:14]2[CH2:15][CH2:16][CH3:17])[cH:8][cH:9]1.[OH:25][n:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33][n:34]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][n:12][c:13]([C:18](=[O:20])[NH:24][CH:21]3[CH2:22][CH2:23]3)[c:14]2[CH2:15][CH2:16][CH3:17])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 69828CyclopropylamineHCID 757711-HydroxybenzotriazoleHCID 433810581-(4-nitrophenyl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid

Product 1

HCID 68516290HCID 68516290, compound

Sources & evidence

ORD record
ord-4901984d142a497aa22769140bef3970
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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