Acetonitrile → HCID 25171870, compound

HRID 154797Notes

Reaction equation

HRID 154797 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]([CH3:24])[CH3:25])[c:8](=[N:10][C:11](=[S:12])[c:13]2[c:14]([O:20][CH3:21])[cH:15][cH:16][c:17]([Cl:19])[cH:18]2)[s:9]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:36][C:37]#[N:38].[NH2:33][C:34]#[N:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH:23]([CH3:24])[CH3:25])[c:8](=[N:10][C:11]([c:13]2[c:14]([O:20][CH3:21])[cH:15][cH:16][c:17]([Cl:19])[cH:18]2)=[N:35][C:34]#[N:33])[s:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9864CyanamideHCID 87179631HCID 87179631, compound

Product 1

HCID 25171870HCID 25171870, compound

Sources & evidence

ORD record
ord-72a6a16c631047a694f722ae5f90361a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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