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Hydrochloric Acid → cis-4-[(2-Chloro-5-fluoro-pyridine-3-carbonyl)-amino]-cyclohexanecarboxylic acid benzyl ester

HRID 807676
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인쇄 미리보기

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HRID 807676 반응식
[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][C:14](=[O:15])[CH:16]1[CH2:17][CH2:18][CH:19]([NH2:22])[CH2:20][CH2:21]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[ClH:41].[F:30][c:31]1[cH:32][n:33][c:34]([Cl:40])[c:35]([C:36](=[O:37])[OH:38])[cH:39]1.[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][C:14](=[O:15])[CH:16]1[CH2:17][CH2:18][CH:19]([NH:22][C:36]([c:35]2[c:34]([Cl:40])[n:33][cH:32][c:31]([F:30])[cH:39]2)=[O:37])[CH2:20][CH2:21]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 114352432-Chloro-5-fluoronicotinic acid
HCID 18646006
Benzyl (1r,4r)-4-aminocyclohexane-1-carboxylate

생성물 1

HCID 20872630cis-4-[(2-Chloro-5-fluoro-pyridine-3-carbonyl)-amino]-cyclohexanecarboxylic acid benzyl ester

출처 및 근거

ORD 기록
ord-f4beb7f701fd4bcdae61a08aa4eb8eee
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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