Methanol → acetic acid 1-[2-(4-fluoro-2-methyl-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]-allyl ester

HRID 146421Notes

Reaction equation

HRID 146421 reaction equation
[CH3:30][C:31](=[O:32])[O:33][C:34](=[O:35])[CH3:36].[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[CH3:54][OH:55].[Cl:51][CH2:52][Cl:53].[Cl:56][CH2:57][Cl:58].[F:1][c:2]1[cH:3][c:4]([CH3:29])[c:5]([NH:8][c:9]2[n:10]([CH3:28])[c:11]3[c:12]([cH:13][cH:14][c:15]4[c:16]([CH3:26])[c:17]([CH:22]([CH:23]=[CH2:24])[OH:25])[nH:18][c:19](=[O:21])[c:20]34)[n:27]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([CH3:29])[c:5]([NH:8][c:9]2[n:10]([CH3:28])[c:11]3[c:12]([cH:13][cH:14][c:15]4[c:16]([CH3:26])[c:17]([CH:22]([CH:23]=[CH2:24])[O:25][C:31]([CH3:30])=[O:32])[nH:18][c:19](=[O:21])[c:20]34)[n:27]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 887MethanolHCID 3283Diethyl EtherHCID 6344Dichloromethane2×HCID 7918Acetic AnhydrideHCID 142844-(Dimethylamino)pyridineHCID 668328842-(4-Fluoro-2-methyl-phenylamino)-7-(1-hydroxy-allyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

Product 1

HCID 66832334acetic acid 1-[2-(4-fluoro-2-methyl-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]-allyl ester

Sources & evidence

ORD record
ord-dae1c942eda14e11845d28dbd9fbbe39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…