Acetonitrile → HCID 25171872, compound

HRID 698390Notes

Reaction equation

HRID 698390 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH2:23][CH3:24])[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.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:35][C:36]#[N:37].[NH2:32][C:33]#[N:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][CH2:23][CH3:24])[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:34][C:33]#[N:32])[s:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9864CyanamideHCID 87179513HCID 87179513, compound

Product 1

HCID 25171872HCID 25171872, compound

Sources & evidence

ORD record
ord-7996b86f04a440678f7668f31ef6a36e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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