Methanol → 1-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-4-[(4-piperidinyl)acetyl]piperazine

HRID 183761Notes

Reaction equation

HRID 183761 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[CH:8]([N:18]1[CH2:19][CH2:20][N:21]([C:24](=[O:25])[CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:31][CH2:32]3)[CH2:22][CH2:23]1)[c:9]1[c:10]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:11][CH2:12]2.[CH3:47][OH:48].[Na+:46].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH-:45].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[CH:8]([N:18]1[CH2:19][CH2:20][N:21]([C:24](=[O:25])[CH2:26][CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[CH2:22][CH2:23]1)[c:9]1[c:10]([cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH2:11][CH2:12]2

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1118Sulfuric AcidHCID 312751,4-DioxaneHCID 108415231,1-Dimethylethyl 4-[[[4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-YL)-1-piperazinyl]carbonyl]methyl]-1-piperidinecarboxylate

Product 1

HCID 107682201-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-4-[(4-piperidinyl)acetyl]piperazine

Sources & evidence

ORD record
ord-d8cb107c6ded4fc5a93aa46615fb898f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…