Toluene → HCID 178473721, compound

HRID 2339625Notes

Reaction equation

HRID 2339625 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([cH:6][cH:7][c:8]3[c:13]2[NH:12][CH:11]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH:10]([O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[C:9]3=[O:27])[c:28]1[CH3:29].[CH3:30][C:31]([Cl:32])=[O:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH3:1][c:2]1[n:3][c:4]2[n:5]([cH:6][cH:7][c:8]3[c:13]2[N:12]([C:31]([CH3:30])=[O:33])[CH:11]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH:10]([O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[C:9]3=[O:27])[c:28]1[CH3:29]

Participants

4

Reactant 3

HCID 1140TolueneHCID 6367Acetyl chlorideHCID 22341784(2,3-dimethyl-7-oxo-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-8-yl) 2,2-dimethylpropanoate

Product 1

HCID 178473721HCID 178473721, compound

Sources & evidence

ORD record
ord-38b0e01332954cf198f855b3c35bba14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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