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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid

HRID 99916
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반응식

HRID 99916 반응식
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[NH:6][CH:7]([CH2:28][C:29]([CH3:30])([CH3:31])[CH:32]2[CH2:33][CH2:34]2)[C:8]([C:18]#[N:19])([c:20]2[c:21]([F:27])[cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[CH:9]1[c:10]1[c:11]([F:17])[c:12]([Cl:16])[cH:13][cH:14][cH:15]1.[CH3:37][OH:38].[ClH:39].[Na+:36].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:35]>>[O:2]=[C:3]([OH:4])[CH:5]1[NH:6][CH:7]([CH2:28][C:29]([CH3:30])([CH3:31])[CH:32]2[CH2:33][CH2:34]2)[C:8]([C:18]#[N:19])([c:20]2[c:21]([F:27])[cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[CH:9]1[c:10]1[c:11]([F:17])[c:12]([Cl:16])[cH:13][cH:14][cH:15]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67297219rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid methyl ester

생성물 1

HCID 67296911
rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-7758b2603830493dafe1b0f719892fd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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