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Dimethylformamide → Methyl 4-[4-(oxan-4-ylcarbamoyl)-5-propylsulfanyl-pyrazol-1-yl]benzoate

HRID 681803
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HRID 681803 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][cH:13][c:14]([C:20](=[O:21])[OH:22])[c:15]2[S:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10]1.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH2:23][CH:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][cH:13][c:14]([C:20](=[O:22])[NH:23][CH:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:15]2[S:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4192234-AminotetrahydropyranHCID 595161221-(4-Methoxycarbonylphenyl)-5-propylsulfanyl-pyrazole-4-carboxylic acid

생성물 1

HCID 59516099Methyl 4-[4-(oxan-4-ylcarbamoyl)-5-propylsulfanyl-pyrazol-1-yl]benzoate

출처 및 근거

ORD 기록
ord-51c7d41628b241e3b8d87af7fc0e3f64
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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