Dichloromethane → 2-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl methanesulfonate

HRID 2149603Notes

Reaction equation

HRID 2149603 reaction equation
[CH2:44]([Cl:45])[Cl:46].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:39][S:40]([Cl:41])(=[O:42])=[O:43].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[F:8][c:9]1[cH:10][c:11]([CH2:19][C:20](=[O:21])[NH:22][c:23]2[c:24]3[cH:25][cH:26][n:27]([CH:35]([CH2:36][OH:37])[CH3:38])[c:28](=[O:34])[c:29]3[cH:30][cH:31][c:32]2[CH3:33])[cH:12][cH:13][c:14]1[C:15]([F:16])([F:17])[F:18]>>[F:8][c:9]1[cH:10][c:11]([CH2:19][C:20](=[O:21])[NH:22][c:23]2[c:24]3[cH:25][cH:26][n:27]([CH:35]([CH2:36][O:37][S:40]([CH3:39])(=[O:42])=[O:43])[CH3:38])[c:28](=[O:34])[c:29]3[cH:30][cH:31][c:32]2[CH3:33])[cH:12][cH:13][c:14]1[C:15]([F:16])([F:17])[F:18]

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 31297Methanesulfonyl chlorideHCID 56681003P2X7 receptor antagonist-1

Product 1

HCID 725773242-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl methanesulfonate

Sources & evidence

ORD record
ord-6638c5f6ca67436ab2b8e4481ec56bd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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