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

HRID 2130277Notes

Reaction equation

HRID 2130277 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:38]2)[CH:20]=[C:21]([C:35](=[O:36])[OH:37])[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([NH2:32])(=[O:33])=[O:34])[cH:29][cH:30]2)[cH:13][cH:14]1.[CH2:68]([N:69]=[C:70]=[N:71][CH2:72][CH2:73][CH2:74][N:75]([CH3:76])[CH3:77])[CH3:78].[CH3:41][N:42]([CH:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1)[CH2:49][c:50]1[cH:51][cH:52][c:53]([NH2:54])[cH:55][cH:56]1.[CH3:84][N:85]([CH3:86])[c:87]1[cH:88][cH:89][n:90][cH:91][cH:92]1.[CH3:93][CH2:94][N:95]([CH2:96][CH3:97])[CH2:98][CH3:99].[ClH:39].[ClH:40].[ClH:67].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]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:38]2)[CH:20]=[C:21]([C:35](=[O:36])[NH:54][c:53]2[cH:52][cH:51][c:50]([CH2:49][N:42]([CH3:41])[CH:43]4[CH2:44][CH2:45][O:46][CH2:47][CH2:48]4)[cH:56][cH:55]2)[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([NH2:32])(=[O:33])=[O:34])[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 223292437-[4-(2-butoxyethoxy)phenyl]-1-(4-sulfamoylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

Product 1

HCID 223292127-[4-(2-butoxyethoxy)phenyl]-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-1-(4-sulfamoylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-8fb69ca8ecb14a209cb7fd1879b349f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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