Hydrochloric Acid → Hydrochloric Acid

HRID 215129Notes

Reaction equation

HRID 215129 reaction equation
[Br:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][Br:38].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:39][C:40]([OH:41])([CH3:42])[CH3:43].[ClH:1].[NH2:2][CH2:3][CH2:4][c:5]1[n:6]([CH3:24])[c:7](=[O:23])[c:8]2[cH:9][cH:10][c:11]([O:21][CH3:22])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[ClH:1].[N:2]1([CH2:3][CH2:4][c:5]2[n:6]([CH3:24])[c:7](=[O:23])[c:8]3[cH:9][cH:10][c:11]([O:21][CH3:22])[cH:12][c:13]3[c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6386tert-ButanolHCID 81001,5-DibromopentaneHCID 8471TriethylamineHCID 114040673-(2-Aminoethyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one

Product 2

HCID 313Hydrochloric AcidHCID 113034106-Methoxy-2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)isoquinolin-1-one

Sources & evidence

ORD record
ord-ba18fad9b91340dfa265367f0ab043d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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