Hydrochloric Acid → 1-(N-acetylglycyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

HRID 1569484Notes

Reaction equation

HRID 1569484 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:33](=[O:34])[OH:35])=[CH:12][c:13]2[c:14]1[cH:15][cH:16][c:17](-[c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][O:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:23][cH:24]1)[cH:18]2.[CH2:65]([N:66]=[C:67]=[N:68][CH2:69][CH2:70][CH2:71][N:72]([CH3:73])[CH3:74])[CH3:75].[CH3:38][N:39]([CH:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1)[CH2:46][c:47]1[cH:48][cH:49][c:50]([NH2:51])[cH:52][cH:53]1.[CH3:81][N:82]([CH3:83])[c:84]1[cH:85][cH:86][n:87][cH:88][cH:89]1.[CH3:90][CH2:91][N:92]([CH2:93][CH3:94])[CH2:95][CH3:96].[ClH:36].[ClH:37].[ClH:64].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:33](=[O:34])[NH:51][c:50]2[cH:49][cH:48][c:47]([CH2:46][N:39]([CH3:38])[CH:40]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[cH:53][cH:52]2)=[CH:12][c:13]2[c:14]1[cH:15][cH:16][c:17](-[c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][O:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:23][cH:24]1)[cH:18]2

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 223290341-(N-acetylglycyl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

Product 1

HCID 223291241-(N-acetylglycyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-175b6ae705204fd59cad6c03604edce7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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