Bicarbonate Ion → (+/-)-3-(1-Benzoylpiperidin-3-yl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one

HRID 2329433Notes

Reaction equation

HRID 2329433 reaction equation
[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)(=[O:43])[Cl:44].[C:45](=[O:46])([OH:47])[O-:48].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:7]([CH:15]3[CH2:16][NH:17][CH2:18][CH2:19][CH2:20]3)[n:8]([CH3:14])[c:9](=[O:13])[c:10]2[cH:11][cH:12]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:50][CH2:51][Cl:52].[Na+:49]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:7]([CH:15]3[CH2:16][N:17]([C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)=[O:43])[CH2:18][CH2:19][CH2:20]3)[n:8]([CH3:14])[c:9](=[O:13])[c:10]2[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 7412Benzoyl chlorideHCID 81531DiisopropylethylamineHCID 11279492(+/-)-6-Methoxy-2-methyl-4-phenyl-3-piperidin-3-ylisoquinolin-1(2H)-one

Product 1

HCID 11476505(+/-)-3-(1-Benzoylpiperidin-3-yl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one

Sources & evidence

ORD record
ord-dc72cd15f47c4f62a3a762608efd0ee5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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