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Methanol → (4-{8-[(Cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-2-fluoro-phenyl)-acetic acid

HRID 2326083
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인쇄 미리보기

반응식

HRID 2326083 반응식
[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([F:33])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([c:21]([CH2:23][N:24]([CH3:25])[CH:26]4[CH2:27][CH2:28]4)[cH:22]2)[O:19][C:18]([CH3:29])([CH3:30])[CH2:17][C:16]3([CH3:31])[CH3:32])[cH:9][cH:10]1)=[O:34].[CH3:37][OH:38].[Na+:36].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:35]>>[O:2]=[C:3]([CH2:4][c:5]1[c:6]([F:33])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([c:21]([CH2:23][N:24]([CH3:25])[CH:26]4[CH2:27][CH2:28]4)[cH:22]2)[O:19][C:18]([CH3:29])([CH3:30])[CH2:17][C:16]3([CH3:31])[CH3:32])[cH:9][cH:10]1)[OH:34]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 69074713(4-{8-[(Cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-2-fluoro-phenyl)-acetic acid methyl ester

생성물 1

HCID 11419537
(4-{8-[(Cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-2-fluoro-phenyl)-acetic acid

출처 및 근거

ORD 기록
ord-2cf18a20224f4ca793cdeba6c09f0ccc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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