1,2-Dichloroethane → 6-(2-dimethylamino-ethoxy)-1-isopropyl-1H-indole-4-carboxylic acid (6-methyl-2-oxo-4-propyl-1,2-dihydro-pyridin-3-ylmethyl)-amide

HRID 2347615Notes

Reaction equation

HRID 2347615 reaction equation
[CH2:22]([Cl:23])[CH2:24][Cl:25].[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([C:18](=[O:19])[OH:20])[c:9]2[cH:10][cH:11][n:12]([CH:15]([CH3:16])[CH3:17])[c:13]2[cH:14]1)[CH3:21].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:26].[NH2:47][CH2:48][c:49]1[c:50](=[O:59])[nH:51][c:52]([CH3:58])[cH:53][c:54]1[CH2:55][CH2:56][CH3:57].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:37].[OH2:65].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([C:18](=[O:20])[NH:47][CH2:48][c:49]2[c:50](=[O:59])[nH:51][c:52]([CH3:58])[cH:53][c:54]2[CH2:55][CH2:56][CH3:57])[c:9]2[cH:10][cH:11][n:12]([CH:15]([CH3:16])[CH3:17])[c:13]2[cH:14]1)[CH3:21]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 671241403-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetateHCID 674640256-(2-dimethylamino-ethoxy)-1-isopropyl-1H-indole-4-carboxylic acid

Product 1

HCID 546702686-(2-dimethylamino-ethoxy)-1-isopropyl-1H-indole-4-carboxylic acid (6-methyl-2-oxo-4-propyl-1,2-dihydro-pyridin-3-ylmethyl)-amide

Sources & evidence

ORD record
ord-b90a7a82571d4929a377dba49b076c9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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