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Hydrochloric Acid → 3(RS)-(tert-butoxyformamido)-5,5,5-trifluoro-2(RS)-hydroxy-2',4' dimethylvaleranilide

HRID 1240495
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HRID 1240495 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:12])[OH:13])[OH:14])[CH2:15][C:16]([F:17])([F:18])[F:19].[CH3:20][c:21]1[cH:22][cH:23][c:24]([NH2:25])[c:26]([CH3:27])[cH:28]1.[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[Cl:51][CH2:52][Cl:53].[ClH:29].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:13])[NH:25][c:24]1[cH:23][cH:22][c:21]([CH3:20])[cH:28][c:26]1[CH3:27])[OH:14])[CH2:15][C:16]([F:17])([F:18])[F:19]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 72502,4-DimethylanilineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 212588903(RS)-(tert-butoxyformamido)-5,5,5-trifluoro-2(RS)-hydroxyvaleric acid

생성물 1

HCID 212589493(RS)-(tert-butoxyformamido)-5,5,5-trifluoro-2(RS)-hydroxy-2',4' dimethylvaleranilide

출처 및 근거

ORD 기록
ord-fe245cb0a1094eab86210943cce447c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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