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Potassium Cation → ethyl (RS)-(4-cyano-phenylamino)-[3-(cyclopentanecarbonyl-amino)-5-ethyl-phenyl]-acetate

HRID 92537
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반응식

HRID 92537 반응식
[CH:1]1([C:6](=[O:7])[Cl:8])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:48][CH2:49][Cl:50].[K+:47].[NH2:9][c:10]1[cH:11][c:12]([CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[NH:24][c:25]2[cH:26][cH:27][c:28]([C:31]#[N:32])[cH:29][cH:30]2)[cH:13][c:14]([CH2:16][CH3:17])[cH:15]1.[S:42](=[O:43])(=[O:44])([OH:45])[O-:46]>>[CH:1]1([C:6](=[O:7])[NH:9][c:10]2[cH:11][c:12]([CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[NH:24][c:25]3[cH:26][cH:27][c:28]([C:31]#[N:32])[cH:29][cH:30]3)[cH:13][c:14]([CH2:16][CH3:17])[cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
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반응물 6

HCID 813Potassium CationHCID 6344DichloromethaneHCID 61778Sulfate, hydrogenHCID 78284Cyclopentanecarbonyl chlorideHCID 81531DiisopropylethylamineHCID 86583558ethyl (RS)-(3-amino-5-ethyl-phenyl)-(4-cyano-phenylamino)-acetate

생성물 1

HCID 86583560
ethyl (RS)-(4-cyano-phenylamino)-[3-(cyclopentanecarbonyl-amino)-5-ethyl-phenyl]-acetate

출처 및 근거

ORD 기록
ord-b60571a57ecd412897517fc2872b1eed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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