Hydrochloric Acid → trans-2-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-6,7-dihydro-5H-benzocycloheptene-8-carboxamide

HRID 2158600Notes

Reaction equation

HRID 2158600 reaction equation
[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH2:62]1[CH2:63][CH2:64][C:65]2=[N:70][CH2:69][CH2:68][CH2:67][N:66]2[CH2:71][CH2:72]1.[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:21]2)[CH:13]=[C:14]([C:18](=[O:19])[OH:20])[CH2:15][CH2:16][CH2:17]3)[cH:6][cH:7]1.[CH3:46][N:47]([CH:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1)[CH2:54][CH:55]1[CH2:56][CH2:57][CH:58]([NH2:61])[CH2:59][CH2:60]1.[CH3:73][C:74]#[N:75].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[ClH:32].[ClH:44].[ClH:45].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:21]2)[CH:13]=[C:14]([C:18](=[O:19])[NH:61][CH:58]2[CH2:57][CH2:56][CH:55]([CH2:54][N:47]([CH3:46])[CH:48]4[CH2:49][CH2:50][O:51][CH2:52][CH2:53]4)[CH2:60][CH2:59]2)[CH2:15][CH2:16][CH2:17]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 105886612-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acidHCID 22990051N-[(4-aminocyclohexyl)methyl]-N-methyloxan-4-amine

Product 1

HCID 21362822trans-2-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-6,7-dihydro-5H-benzocycloheptene-8-carboxamide

Sources & evidence

ORD record
ord-2fb24471f33b454789740d57746135a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…