Hydrochloric Acid → 7-(4-(1-imidazolyl)phenyl)-N-(4-((N-tetra-hydropyran-4-yl-N-methylamino)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

HRID 185110Notes

Reaction equation

HRID 185110 reaction equation
[CH2:53]([N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62])[CH3:63].[CH3:26][N:27]([CH:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1)[CH2:34][c:35]1[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[ClH:52].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[n:1]1(-[c:6]2[cH:7][cH:8][c:9](-[c:12]3[cH:13][cH:14][c:15]4[c:16]([cH:25]3)[CH:17]=[C:18]([C:22](=[O:23])[OH:24])[CH2:19][CH2:20][O:21]4)[cH:10][cH:11]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9](-[c:12]3[cH:13][cH:14][c:15]4[c:16]([cH:25]3)[CH:17]=[C:18]([C:22](=[O:23])[NH:39][c:38]3[cH:37][cH:36][c:35]([CH2:34][N:27]([CH3:26])[CH:28]5[CH2:29][CH2:30][O:31][CH2:32][CH2:33]5)[cH:41][cH:40]3)[CH2:19][CH2:20][O:21]4)[cH:10][cH:11]2)[cH:2][n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 184726247-(4-(1-Imidazolyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Product 1

HCID 184724997-(4-(1-imidazolyl)phenyl)-N-(4-((N-tetra-hydropyran-4-yl-N-methylamino)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Sources & evidence

ORD record
ord-d084c5f7a43c4558896524774557b7d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…