Acetonitrile → HCID 20199166, compound

HRID 1236108Notes

Reaction equation

HRID 1236108 reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH2:25][NH2:26])[n:5][c:6]1[NH:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([CH2:18][N:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:15][cH:16][cH:17]1.[CH3:36][C:37]#[N:38].[O:27]=[C:28]=[N:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][n:2]1[n:3][c:4]([CH2:25][NH:26][C:28](=[O:27])[NH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[n:5][c:6]1[NH:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([CH2:18][N:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:15][cH:16][cH:17]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 7672Phenyl isocyanateHCID 20199116HCID 20199116, compound

Product 1

HCID 20199166HCID 20199166, compound

Sources & evidence

ORD record
ord-3004ad83966b493b88bc93173c63635e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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