Acetonitrile → HCID 178480485, compound

HRID 2161851Notes

Reaction equation

HRID 2161851 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]=[C:10]=[S:11].[CH3:31][C:32]#[N:33].[NH2:12][CH2:13][CH:14]1[CH2:15][N:16]([CH3:30])[CH:17]2[CH2:18][c:19]3[cH:20][nH:21][c:22]4[cH:23][cH:24][cH:25][c:26]([c:29]34)[CH:27]2[CH2:28]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][C:10](=[S:11])[NH:12][CH2:13][CH:14]1[CH2:15][N:16]([CH3:30])[CH:17]2[CH2:18][c:19]3[cH:20][nH:21][c:22]4[cH:23][cH:24][cH:25][c:26]([c:29]34)[CH:27]2[CH2:28]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 68284Benzoyl isothiocyanateHCID 178480448HCID 178480448, compound

Product 1

HCID 178480485HCID 178480485, compound

Sources & evidence

ORD record
ord-dce4e84d0d1043ba928cd6f7af4fb12e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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