Benzene → HCID 18981480, compound

HRID 1127120Notes

Reaction equation

HRID 1127120 reaction equation
[C:14]([C:15]#[CH:16])(=[O:17])[OH:18].[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][CH2:8][CH2:9][CH2:10][OH:11])[cH:12][cH:13]1.[OH2:36].[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:14]([C:15]#[CH:16])=[O:17])[cH:12][cH:13]1

Participants

6

Sources & evidence

ORD record
ord-f51659414c10486daaf59ad1be268f54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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