Hydrochloric Acid → N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-morpholinophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

HRID 1119447Notes

Reaction equation

HRID 1119447 reaction equation
[CH2:40]([N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49])[CH3:50].[CH3:51][N:52]([CH:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1)[CH2:59][c:60]1[cH:61][cH:62][c:63]([NH2:64])[cH:65][cH:66]1.[CH3:72][N:73]([CH3:74])[c:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1.[CH3:81][CH2:82][N:83]([CH2:84][CH3:85])[CH2:86][CH3:87].[ClH:39].[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:28]3)[CH:18]=[C:19]([C:25](=[O:26])[OH:27])[CH2:20][CH2:21][S:22]4(=[O:23])=[O:24])[cH:11][cH:12]2)[CH2:5][CH2:6]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]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:28]3)[CH:18]=[C:19]([C:25](=[O:27])[NH:64][c:63]3[cH:62][cH:61][c:60]([CH2:59][N:52]([CH3:51])[CH:53]5[CH2:54][CH2:55][O:56][CH2:57][CH2:58]5)[cH:66][cH:65]3)[CH2:20][CH2:21][S:22]4(=[O:23])=[O:24])[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 112349537-(4-Morpholinophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid

Product 1

HCID 3009393N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-morpholinophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

Sources & evidence

ORD record
ord-67d55673332b46a7800632059538580a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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