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N-methyl-2-pyrrolidone → 3-[4-[(4-Cyano-4-phenylpiperidine-1-carbonyl)amino]phenyl]-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid

HRID 664819
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HRID 664819 반응식
[C:1](#[N:2])[C:3]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:4][CH2:5][N:6]([C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:16][CH:17]([NH2:18])[C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:7][CH2:8]1.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:30][C:31]1([Cl:38])[C:32]([C:34](=[O:35])[OH:36])([CH3:37])[CH2:33]1>>[C:1](#[N:2])[C:3]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:4][CH2:5][N:6]([C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:16][CH:17]([NH:18][C:34]([C:32]3([CH3:37])[C:31]([Cl:30])([Cl:38])[CH2:33]3)=[O:35])[C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:7][CH2:8]1
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반응물 4

HCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 1026212,2-Dichloro-1-methylcyclopropanecarboxylic acidHCID 178509344HCID 178509344, 화합물

생성물 1

HCID 226601933-[4-[(4-Cyano-4-phenylpiperidine-1-carbonyl)amino]phenyl]-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid

출처 및 근거

ORD 기록
ord-597e5ad7137947b0a0a68af0abdda007
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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