Chloride → 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(2-pyridinylsulfanyl)methyl]phenyl]-1-(trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 91151Notes

Reaction equation

HRID 91151 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]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1.[CH2:61]([N:62]=[C:63]=[N:64][CH2:65][CH2:66][CH2:67][N:68]([CH3:69])[CH3:70])[CH3:71].[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[Cl-:60].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1.[n:35]1[c:36]([S:41][CH2:42][c:43]2[cH:44][cH:45][c:46]([NH2:47])[cH:48][cH:49]2)[cH:37][cH:38][cH:39][cH:40]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:47][c:46]2[cH:45][cH:44][c:43]([CH2:42][S:41][c:36]4[n:35][cH:40][cH:39][cH:38][cH:37]4)[cH:49][cH:48]2)[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 113290287-[4-(2-Butoxyethoxy)phenyl]-1-(trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylic acidHCID 284023404-[(Pyridin-2-ylsulfanyl)methyl]aniline

Product 1

HCID 865951827-[4-(2-butoxyethoxy)phenyl]-N-[4-[(2-pyridinylsulfanyl)methyl]phenyl]-1-(trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-37eaebbd3480475dac5e8537e23f374b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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