Toluene → HCID 86240729, compound

HRID 191105Notes

Reaction equation

HRID 191105 reaction equation
[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[OH:1][CH2:2][c:3]1[c:4]([CH3:20])[c:5]([O:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[c:6]([CH3:9])[n:7][cH:8]1>>[O:1]=[CH:2][c:3]1[c:4]([CH3:20])[c:5]([O:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[c:6]([CH3:9])[n:7][cH:8]1

Participants

3

Reactant 2

HCID 1140TolueneHCID 68644250HCID 68644250, compound

Product 1

HCID 86240729HCID 86240729, compound

Sources & evidence

ORD record
ord-92167b8c461947f2bd2a74eaf384ab54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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