Acetic Acid → HCID 22387962, compound

HRID 2144687Notes

Reaction equation

HRID 2144687 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][CH2:39][OH:40].[Fe:41].[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]3[c:17]([n:18]2)[n:19]([CH2:23][c:24]2[c:25]([Cl:33])[cH:26][c:27]([N+:30]([O-:31])=[O:32])[cH:28][cH:29]2)[c:20]([CH3:22])[n:21]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]3[c:17]([n:18]2)[n:19]([CH2:23][c:24]2[c:25]([Cl:33])[cH:26][c:27]([NH2:30])[cH:28][cH:29]2)[c:20]([CH3:22])[n:21]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Sources & evidence

ORD record
ord-e753ff9b2a9c4d83804489bb87b5e322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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