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1,2-Dichloroethane → 2-[2-(4-Methoxyphenyl)ethyl]-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]nicotinamide

HRID 113524
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HRID 113524 반응식
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:24][n:25]1[c:26]([CH2:34][NH:35][CH3:36])[cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][c:15]2[c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22][n:23]2)[cH:11][cH:12]1.[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:47].[OH2:62].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][c:15]2[c:16]([C:17](=[O:19])[N:35]([CH2:34][c:26]3[n:25]([CH3:24])[c:33]4[c:28]([cH:27]3)[cH:29][cH:30][cH:31][cH:32]4)[CH3:36])[cH:20][cH:21][cH:22][n:23]2)[cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 962Water2회HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 11401058methyl((1-methyl-1H-indol-2-yl)methyl)amineHCID 121253972-[2-(4-Methoxyphenyl)ethyl]nicotinic acid

생성물 1

HCID 99315542-[2-(4-Methoxyphenyl)ethyl]-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]nicotinamide

출처 및 근거

ORD 기록
ord-647077ab5d384d658bed5899f17a547e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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