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Potassium Cation → 1-(4-tert-Butylphenyl)-6-chloro-5-(5-dimethylcarbamoyl-pyridin-2-yloxy)-2-ethoxycarbonylmethylindole-3-carboxylic acid ethyl ester

HRID 135443
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HRID 135443 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:8](-[c:17]2[cH:18][cH:19][c:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21][cH:22]2)[c:9]2[cH:10][c:11]([Cl:16])[c:12]([OH:15])[cH:13][c:14]12.[Cl:33][c:34]1[n:35][cH:36][c:37]([C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[cH:43][cH:44]1.[K+:45].[K+:46].[O-:47][C:48]([O-:49])=[O:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:8](-[c:17]2[cH:18][cH:19][c:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21][cH:22]2)[c:9]2[cH:10][c:11]([Cl:16])[c:12]([O:15][c:34]3[n:35][cH:36][c:37]([C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[cH:43][cH:44]3)[cH:13][c:14]12
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참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 123642316-Chloro-N,N-dimethylnicotinamideHCID 666578111-(4-tert-Butylphenyl)-6-chloro-2-ethoxycarbonylmethyl-5-hydroxyindole-3-carboxylic acid ethyl ester

생성물 1

HCID 66657529
1-(4-tert-Butylphenyl)-6-chloro-5-(5-dimethylcarbamoyl-pyridin-2-yloxy)-2-ethoxycarbonylmethylindole-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-519f164c7f634a068501523d1bcc59d5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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