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

HRID 166565Notes

Reaction equation

HRID 166565 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:34]2)[CH:20]=[C:21]([C:31](=[O:32])[OH:33])[CH2:22][CH2:23][N:24]3[c:25]2[n:26][c:27]([CH3:30])[s:28][cH:29]2)[cH:13][cH:14]1.[CH2:64]([N:65]=[C:66]=[N:67][CH2:68][CH2:69][CH2:70][N:71]([CH3:72])[CH3:73])[CH3:74].[CH3:37][N:38]([CH:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1)[CH2:45][c:46]1[cH:47][cH:48][c:49]([NH2:50])[cH:51][cH:52]1.[CH3:80][N:81]([CH3:82])[c:83]1[cH:84][cH:85][n:86][cH:87][cH:88]1.[CH3:90][CH2:91][N:92]([CH2:93][CH3:94])[CH2:95][CH3:96].[ClH:35].[ClH:36].[ClH:63].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:89].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]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:34]2)[CH:20]=[C:21]([C:31](=[O:33])[NH:50][c:49]2[cH:48][cH:47][c:46]([CH2:45][N:38]([CH3:37])[CH:39]4[CH2:40][CH2:41][O:42][CH2:43][CH2:44]4)[cH:52][cH:51]2)[CH2:22][CH2:23][N:24]3[c:25]2[n:26][c:27]([CH3:30])[s:28][cH:29]2)[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 223290877-[4-(2-butoxyethoxy)phenyl]-1-(2-methylthiazol-4-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

Product 1

HCID 98747097-[4-(2-butoxyethoxy)phenyl]-1-(2-methylthiazol-4-yl)-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-15f152b2d1c44bffb361a23fd8482fbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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