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

HRID 1131089Notes

Reaction equation

HRID 1131089 reaction equation
[B:1]([O-:2])([O-:15])[O:16][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:7][cH:8]1.[Br:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([cH:49]1)[CH:23]=[C:24]([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)[CH2:25][CH2:26][N:27]2[CH2:28][CH2:29][CH3:30].[C:60](=[O:61])([O-:62])[O-:63].[CH2:57]([OH:58])[CH3:59].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[K+:64].[K+:65].[OH2:66].[c:50]1([CH3:51])[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:3]1(-[c:18]2[cH:19][cH:20][c:21]3[c:22]([cH:49]2)[CH:23]=[C:24]([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)[CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][CH3:30])[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 223289007-bromo-1-propyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamideHCID 867561794-Morpholinophenyl borate

Product 1

HCID 22329104N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-morpholinophenyl)-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-1028d68b50a04b8cb9890d78774f8070
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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