Acetic Acid → HCID 135973970, compound

HRID 1141272Notes

Reaction equation

HRID 1141272 reaction equation
[C:27]([C:28]1=[C:37]([C:38]#[N:39])[C:35](=[O:36])[C:33]([Cl:34])=[C:31]([Cl:32])[C:29]1=[O:30])#[N:40].[CH3:23][C:24](=[O:25])[OH:26].[OH:1][c:2]1[c:3]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:4][c:5]([CH2:6][NH:7][n:8]2[cH:9][n:10][cH:11][cH:12]2)[cH:13][c:14]1[C:15]([CH3:16])([CH3:17])[CH3:18].[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[OH:1][c:2]1[c:3]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:4][c:5]([CH:6]=[N:7][n:8]2[cH:9][n:10][cH:11][cH:12]2)[cH:13][c:14]1[C:15]([CH3:16])([CH3:17])[CH3:18]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 241BenzeneHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 19862543HCID 19862543, compound

Product 1

HCID 135973970HCID 135973970, compound

Sources & evidence

ORD record
ord-cbe9e00383904e8b90662f9f9f74bbe5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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