Acetonitrile → HCID 25172079, compound

HRID 123617Notes

Reaction equation

HRID 123617 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[S:21])[s:9]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:37][C:38]#[N:39].[NH2:34][C:35]#[N:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[N:36][C:35]#[N:34])[s:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9864CyanamideHCID 87179804HCID 87179804, compound

Product 1

HCID 25172079HCID 25172079, compound

Sources & evidence

ORD record
ord-872ac6eee0bd4c96a4a5182226b3b012
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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