Acetic Acid → HCID 19864295, compound

HRID 142146Notes

Reaction equation

HRID 142146 reaction equation
[CH3:22][C:23]([OH:24])=[O:25].[CH3:26][C:27]([O:28][C:29](=[O:30])[CH3:31])=[O:32].[CH3:2][N:3]1[CH2:4][CH:5]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6]2[c:7]([cH:10][c:11]([N+:13]([O-:14])=[O:15])[s:12]2)[CH2:8][CH2:9]1.[ClH:1]>>[CH3:2][N:3]1[CH2:4][CH:5]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6]2[c:7]([cH:10][c:11]([NH:13][C:23]([CH3:22])=[O:24])[s:12]2)[CH2:8][CH2:9]1

Participants

5

Sources & evidence

ORD record
ord-7038b2503d0f4429a5680d369948753a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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