Ethanol → 1-formyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-7-[4-(3-propoxy)propoxyphenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

HRID 321276Notes

Reaction equation

HRID 321276 reaction equation
[B:1]([O-:2])([O-:17])[O:18][c:3]1[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][CH3:16])[cH:7][cH:8]1.[Br:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:50]1)[CH:25]=[C:26]([C:32](=[O:33])[NH:34][c:35]1[cH:36][cH:37][c:38]([CH2:41][N:42]([CH:43]3[CH2:44][CH2:45][O:46][CH2:47][CH2:48]3)[CH3:49])[cH:39][cH:40]1)[CH2:27][CH2:28][N:29]2[CH:30]=[O:31].[C:51](=[O:52])([O-:53])[O-:54].[CH2:64]([OH:65])[CH3:66].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[K+:55].[K+:56].[OH2:67].[c:57]1([CH3:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:3]1(-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:50]2)[CH:25]=[C:26]([C:32](=[O:33])[NH:34][c:35]2[cH:36][cH:37][c:38]([CH2:41][N:42]([CH:43]4[CH2:44][CH2:45][O:46][CH2:47][CH2:48]4)[CH3:49])[cH:39][cH:40]2)[CH2:27][CH2:28][N:29]3[CH:30]=[O:31])[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][CH3:16])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 22329057HCID 22329057, compoundHCID 867568184-(3-Propoxypropoxy)phenyl borate

Product 1

HCID 223292831-formyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-7-[4-(3-propoxy)propoxyphenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-d0ca9644fcf64fb2b8778cf8873de2b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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