Dichloromethane → N-[2-(2-Dimethylamino-ethyl)-1-oxo-1,2-dihydro-isoquinolin-5-yl]-3-p-tolyl-propionamide

HRID 698640Notes

Reaction equation

HRID 698640 reaction equation
[CH2:63]([Cl:64])[Cl:65].[CH3:42][c:43]1[cH:44][cH:45][c:46]([CH2:49][CH2:50][C:51](=[O:52])[OH:53])[cH:47][cH:48]1.[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:51]([CH2:50][CH2:49][c:46]1[cH:45][cH:44][c:43]([CH3:42])[cH:48][cH:47]1)=[O:52]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 739273-(p-Tolyl)propionic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595794535-Amino-2-(2-dimethylamino-ethyl)-2H-isoquinolin-1-one

Product 1

HCID 24784833N-[2-(2-Dimethylamino-ethyl)-1-oxo-1,2-dihydro-isoquinolin-5-yl]-3-p-tolyl-propionamide

Sources & evidence

ORD record
ord-20adaf26c85645c88c8aef2e06d298a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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