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Methanol → 1-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid (6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-amide

HRID 191837
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HRID 191837 반응식
[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:50][OH:51].[NH2:26][c:27]1[c:28](=[O:38])[n:29]([CH2:35][CH2:36][CH3:37])[c:30](=[O:34])[nH:31][c:32]1[NH2:33].[O:1]=[C:2]1[CH2:3][CH:4]([CH2:17][n:18]2[n:19][cH:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]2)[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1>>[O:1]=[C:2]1[CH2:3][CH:4]([CH2:17][n:18]2[n:19][cH:20][c:21]([C:23](=[O:24])[NH:26][c:27]3[c:28](=[O:38])[n:29]([CH2:35][CH2:36][CH3:37])[c:30](=[O:34])[nH:31][c:32]3[NH2:33])[cH:22]2)[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1
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참가 물질

5

반응물 4

HCID 887MethanolHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 109542025,6-Diamino-3-propylpyrimidine-2,4(1H,3H)-dioneHCID 579887561-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid

생성물 1

HCID 579887631-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid (6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-amide

출처 및 근거

ORD 기록
ord-5c9f6b43e53843579b740ac3c4656708
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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