Acetic Acid → HCID 12802061, compound

HRID 154765Notes

Reaction equation

HRID 154765 reaction equation
[CH2:27]([Cl:28])[Cl:29].[CH3:31][C:32](=[O:33])[OH:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:26]1)[C:7]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH3:19])[n:13][c:14]1[C:15](=[O:16])[O:17][CH3:18].[Zn:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:26]1)[CH:7]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:8][CH2:9][c:10]1[n:11]-2[c:12]([CH3:19])[n:13][c:14]1[C:15](=[O:16])[O:17][CH3:18]

Participants

5

Sources & evidence

ORD record
ord-721c0f1bfc7e4bc2a157de67a9dbb0d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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