Acetonitrile → HCID 21362789, compound

HRID 174398Notes

Reaction equation

HRID 174398 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH2:10][CH:9]([N:13]([CH2:14][CH2:15][CH3:16])[CH2:17][CH:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1)[CH2:8][CH2:7]2.[CH3:24][N:25]=[C:26]=[O:27].[CH3:31][C:32]#[N:33].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:28][CH2:29][Cl:30]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH2:10][CH:9]([N:13]([CH2:14][CH2:15][CH3:16])[CH2:17][CH:18]1[CH2:19][CH2:20][N:21]([C:26]([NH:25][CH3:24])=[O:27])[CH2:22][CH2:23]1)[CH2:8][CH2:7]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 12228Methyl IsocyanateHCID 81531DiisopropylethylamineHCID 22560655HCID 22560655, compound

Product 1

HCID 21362789HCID 21362789, compound

Sources & evidence

ORD record
ord-bc1b00fe07eb4870a7d1cf77b5b24292
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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