Acetonitrile → HCID 59424501, compound

HRID 196952Notes

Reaction equation

HRID 196952 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][n:2]1[cH:3][n:4][c:5](-[c:7]2[cH:8][c:9]3[n:10][cH:11][cH:12][c:13]([O:16][c:17]4[cH:18][cH:19][c:20]([NH2:23])[cH:21][cH:22]4)[c:14]3[s:15]2)[cH:6]1.[CH3:36][C:37]#[N:38].[c:24]1([CH2:30][C:31](=[O:32])[N:33]=[C:34]=[S:35])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][n:2]1[cH:3][n:4][c:5](-[c:7]2[cH:8][c:9]3[n:10][cH:11][cH:12][c:13]([O:16][c:17]4[cH:18][cH:19][c:20]([NH:23][C:34]([NH:33][C:31]([CH2:30][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)=[O:32])=[S:35])[cH:21][cH:22]4)[c:14]3[s:15]2)[cH:6]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 12454157Phenylacetyl isothiocyanateHCID 59424602HCID 59424602, compound

Product 1

HCID 59424501HCID 59424501, compound

Sources & evidence

ORD record
ord-e55fc62fad61486e89802cba55af3922
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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