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1,2-Dichloroethane → tert-butyl 2-(4-(5-(2-amino-5-methoxyphenylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidin-1-yl)ethyl(methyl)carbamate

HRID 153157
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HRID 153157 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH:14]([n:17]2[n:18][c:19]([C:25]([F:26])([F:27])[F:28])[cH:20][c:21]2[C:22](=[O:23])[OH:24])[CH2:15][CH2:16]1)[CH3:29].[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH3:46][O:47][c:48]1[cH:49][c:50]([NH2:55])[c:51]([NH2:54])[cH:52][cH:53]1.[ClH:44].[ClH:45].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH:14]([n:17]2[n:18][c:19]([C:25]([F:26])([F:27])[F:28])[cH:20][c:21]2[C:22](=[O:23])[NH:55][c:50]2[cH:49][c:48]([O:47][CH3:46])[cH:53][cH:52][c:51]2[NH2:54])[CH2:15][CH2:16]1)[CH3:29]
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반응물 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 1534044-Methoxy-o-phenylenediamineHCID 598432141-(1-(2-(tert-butoxycarbonyl(methyl)amino)ethyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

생성물 1

HCID 59843143tert-butyl 2-(4-(5-(2-amino-5-methoxyphenylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidin-1-yl)ethyl(methyl)carbamate

출처 및 근거

ORD 기록
ord-21e16439b4c14e5cb19ced6d4fcdaffd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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