Hydrochloric Acid → trans-N-[4-[N-(1-tert-butoxycarbonylpiperidin-4-yl)-N-methylaminomethyl]cyclohexyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamide

HRID 2159824Notes

Reaction equation

HRID 2159824 reaction equation
[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[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][O:17]3)[cH:6][cH:7]1.[CH3:67][C:68]#[N:69].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[ClH:32].[NH2:44][CH:45]1[CH2:46][CH2:47][CH:48]([CH2:51][N:52]([CH3:53])[CH:54]2[CH2:55][CH2:56][N:57]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:58][CH2:59]2)[CH2:49][CH2:50]1.[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:44][CH:45]2[CH2:46][CH2:47][CH:48]([CH2:51][N:52]([CH3:53])[CH:54]4[CH2:55][CH2:56][N:57]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:58][CH2:59]4)[CH2:49][CH2:50]2)[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 105646997-(4-Methylphenyl)-2,3-dihydrobenzooxepine-4-carboxylic acidHCID 22990074tert-butyl trans-4-[N-(4-aminocyclohexylmethyl)-N-methylamino]piperidine-1-carboxylate

Product 1

HCID 9938370trans-N-[4-[N-(1-tert-butoxycarbonylpiperidin-4-yl)-N-methylaminomethyl]cyclohexyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxamide

Sources & evidence

ORD record
ord-a552d4a73f6948f49995238b99e56263
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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