Acetic Acid → HCID 57603281, compound

HRID 144746Notes

Reaction equation

HRID 144746 reaction equation
[C:19]([OH:20])(=[O:21])[CH3:22].[C:23]([OH:24])(=[O:25])[CH3:26].[CH3:34][C:35]#[N:36].[I:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[NH2:16][C:17]#[N:18].[S:1]1[CH2:2][CH:3]([c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[n:10][cH:11]2)[CH2:4][CH2:5]1>>[S:1]1(=[N:18][C:17]#[N:16])[CH2:2][CH:3]([c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[n:10][cH:11]2)[CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 176Acetic Acid2×HCID 6342AcetonitrileHCID 9864CyanamideHCID 11575IodobenzeneHCID 59265967HCID 59265967, compound

Product 1

HCID 57603281HCID 57603281, compound

Sources & evidence

ORD record
ord-f91a1be5b990478ca6a0d1ca01880729
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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