Acetic Acid → HCID 57797835, compound

HRID 281624Notes

Reaction equation

HRID 281624 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[C:7]([c:27]1[c:28]([F:33])[cH:29][cH:30][cH:31][cH:32]1)=[N:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([NH:16][c:17]2[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[n:14][cH:15]1.[Cl:39][CH2:40][Cl:41].[Zn:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[CH:7]([c:27]1[c:28]([F:33])[cH:29][cH:30][cH:31][cH:32]1)[NH:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([NH:16][c:17]2[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[n:14][cH:15]1

Participants

5

Sources & evidence

ORD record
ord-4382700e561d45f585f633046ad30cba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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