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Tetrahydrofuran → {4-[3-(4-Fluoro-benzyloxy)-5-(3-morpholin-4-yl-prop-1-ynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid Ethyl Ester

HRID 294725
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HRID 294725 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:30])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([OH:29])[cH:17][c:18]([C:20]#[C:21][CH2:22][N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:19]2)[cH:11][cH:12]1)=[O:31].[CH2:41]([P:42]([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][OH:38])[cH:39][cH:40]1.[N:54]([C:55]([N:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1)=[O:62])=[N:63][C:64]([N:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1)=[O:71]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:30])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([O:29][CH2:37][c:36]3[cH:35][cH:34][c:33]([F:32])[cH:40][cH:39]3)[cH:17][c:18]([C:20]#[C:21][CH2:22][N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:19]2)[cH:11][cH:12]1)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 680224-Fluorobenzylic alcoholHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 57791910{4-[3-Hydroxy-5-(3-morpholin-4-yl-prop-1-ynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

생성물 1

HCID 67170755
{4-[3-(4-Fluoro-benzyloxy)-5-(3-morpholin-4-yl-prop-1-ynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid Ethyl Ester

출처 및 근거

ORD 기록
ord-e130644a52eb44cc833581fe45ea48b6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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