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

HRID 1567077Notes

Reaction equation

HRID 1567077 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:40]2)[CH:20]=[C:21]([C:37](=[O:38])[OH:39])[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([N:32]([CH3:33])[CH3:34])(=[O:35])=[O:36])[cH:29][cH:30]2)[cH:13][cH:14]1.[CH2:70]([N:71]=[C:72]=[N:73][CH2:74][CH2:75][CH2:76][N:77]([CH3:78])[CH3:79])[CH3:80].[CH3:43][N:44]([CH:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1)[CH2:51][c:52]1[cH:53][cH:54][c:55]([NH2:56])[cH:57][cH:58]1.[CH3:86][N:87]([CH3:88])[c:89]1[cH:90][cH:91][n:92][cH:93][cH:94]1.[CH3:95][CH2:96][N:97]([CH2:98][CH3:99])[CH2:100][CH3:101].[ClH:41].[ClH:42].[ClH:69].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:59][n:60]1[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:40]2)[CH:20]=[C:21]([C:37](=[O:39])[NH:56][c:55]2[cH:54][cH:53][c:52]([CH2:51][N:44]([CH3:43])[CH:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[cH:58][cH:57]2)[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([N:32]([CH3:33])[CH3:34])(=[O:35])=[O:36])[cH:29][cH:30]2)[cH:13][cH:14]1

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 223292597-[4-(2-butoxyethoxy)phenyl]-1-(N,N-dimethyl-4-sulfamoylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

Product 1

HCID 223289857-[4-(2-butoxyethoxy)phenyl]-1-(N,N-dimethyl-4-sulfamoylphenyl)-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-9b56d0a2074c456e9b9af157ffe1855f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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