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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Methanol → 4-[[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid

HRID 687465
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인쇄 미리보기

반응식

HRID 687465 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH:16]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:17]([C:27]#[N:28])([c:29]3[c:30]([F:36])[cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:18]2[c:19]2[c:20]([F:26])[c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[cH:8][cH:9]1)=[O:42].[CH3:45][OH:46].[Na+:44].[OH-:43]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH:16]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:17]([C:27]#[N:28])([c:29]3[c:30]([F:36])[cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[CH:18]2[c:19]2[c:20]([F:26])[c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[cH:8][cH:9]1)[OH:42]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 72243997HCID 72243997, 화합물

생성물 1

HCID 722439264-[[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid

출처 및 근거

ORD 기록
ord-fc2ffdffa7034760b2ccdaf170b5749c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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