Carbonate Ion → 1-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-5-methyl-2-pyrrolidinone

HRID 281140

Reaction equation

HRID 281140 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:38][CH:39]1[CH2:40][CH2:41][C:42](=[O:44])[NH:43]1.[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][cH:13][c:14]([O:16][c:17]4[n:18][cH:19][c:20]([I:23])[cH:21][cH:22]4)[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Cs+:49].[Cs+:50].[Cu:57][I:58].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[n:24]1[c:25]2[c:26]([cH:27][cH:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][n:34]3)[cH:35][cH:36][cH:37]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][cH:13][c:14]([O:16][c:17]4[n:18][cH:19][c:20]([N:43]5[CH:39]([CH3:38])[CH2:40][CH2:41][C:42]5=[O:44])[cH:21][cH:22]4)[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 660555-Methyl-2-pyrrolidoneHCID 674731,7-PhenanthrolineHCID 104967Cesium cation2×HCID 574402941H-3-Benzazepine, 3-cyclobutyl-2,3,4,5-tetrahydro-7-[(5-iodo-2-pyridinyl)oxy]-

Product 1

HCID 104305641-{6-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-3-pyridinyl}-5-methyl-2-pyrrolidinone

Sources & evidence

ORD record
ord-480e600b69c94b7e9c8070e34ad46ba8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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