Ethanol → 1-ethyl-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 1543072Notes

Reaction equation

HRID 1543072 reaction equation
[B:1]([O-:2])([O-:16])[O:17][c:3]1[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH3:15])[cH:7][cH:8]1.[Br:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:49]1)[CH:24]=[C:25]([C:31](=[O:32])[NH:33][c:34]1[cH:35][cH:36][c:37]([CH2:40][N:41]([CH:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[CH3:48])[cH:38][cH:39]1)[CH2:26][CH2:27][N:28]2[CH2:29][CH3:30].[C:50](=[O:51])([O-:52])[O-:53].[CH2:63]([OH:64])[CH3:65].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[K+:54].[K+:55].[OH2:66].[c:56]1([CH3:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[c:3]1(-[c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:49]2)[CH:24]=[C:25]([C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([CH2:40][N:41]([CH:42]4[CH2:43][CH2:44][O:45][CH2:46][CH2:47]4)[CH3:48])[cH:38][cH:39]2)[CH2:26][CH2:27][N:28]3[CH2:29][CH3:30])[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH3:15])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 223292947-bromo-1-ethyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamideHCID 867568144-(2-Propoxyethoxy)phenyl borate

Product 1

HCID 30094061-ethyl-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-05dcc3f9efa3456ea923353ea3324db2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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