Potassium Cation → 1-[6,7-Dimethoxy-3,4-dihydro-2H-isoquinolin-1-one-2-yl]-3-[N-benzyl-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-amino]-propane

HRID 1558510Notes

Reaction equation

HRID 1558510 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][CH3:14])[C:9](=[O:15])[N:8]([CH2:16][CH2:17][CH2:18][Cl:19])[CH2:7][CH2:6]2.[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:30][CH2:31][NH:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:25][cH:26][c:27]1[O:28][CH3:29].[CH3:46][OH:47].[CH:48]([Cl:49])([Cl:50])[Cl:51].[Cl:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[K+:44].[K+:45]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][CH3:14])[C:9](=[O:15])[N:8]([CH2:16][CH2:17][CH2:18][N:32]([CH2:31][CH2:30][c:24]1[cH:23][c:22]([O:21][CH3:20])[c:27]([O:28][CH3:29])[cH:26][cH:25]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH2:7][CH2:6]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 887MethanolHCID 6212ChloroformHCID 7964ChlorobenzeneHCID 19660Carbonate IonHCID 200274Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amineHCID 133270272-(3-Chloropropyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-one

Product 1

HCID 227501191-[6,7-Dimethoxy-3,4-dihydro-2H-isoquinolin-1-one-2-yl]-3-[N-benzyl-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-amino]-propane

Sources & evidence

ORD record
ord-7a2909881d6749aaa39f54783c6864b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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