Hydrochloric Acid → N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]phenyl]-7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

HRID 165232Notes

Reaction equation

HRID 165232 reaction equation
[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:49][N:50]([CH:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1)[CH2:57][c:58]1[cH:59][cH:60][c:61]([NH2:62])[cH:63][cH:64]1.[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[ClH:37].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]4[c:17]([cH:26]3)[CH:18]=[C:19]([C:23](=[O:24])[OH:25])[CH2:20][CH2:21][S:22]4)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]4[c:17]([cH:26]3)[CH:18]=[C:19]([C:23](=[O:24])[NH:62][c:61]3[cH:60][cH:59][c:58]([CH2:57][N:50]([CH3:49])[CH:51]5[CH2:52][CH2:53][O:54][CH2:55][CH2:56]5)[cH:64][cH:63]3)[CH2:20][CH2:21][S:22]4)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 184722757-(4-Morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid

Product 1

HCID 18472652N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]phenyl]-7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

Sources & evidence

ORD record
ord-6603155001754e368427bee806d017ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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