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Sodium Ion → 2-(7-(2,4-Bis(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid

HRID 89872
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반응식

HRID 89872 반응식
[F:1][C:2]([c:3]1[c:4]([CH2:5][O:6][c:7]2[cH:8][c:9]3[c:10]4[c:11]([nH:12][c:13]3[cH:14][cH:15]2)[CH:16]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:17][CH2:18]4)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[Na+:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH-:35].[OH2:43]>>[F:1][C:2]([c:3]1[c:4]([CH2:5][O:6][c:7]2[cH:8][c:9]3[c:10]4[c:11]([nH:12][c:13]3[cH:14][cH:15]2)[CH:16]([CH2:19][C:20](=[O:21])[OH:22])[CH2:17][CH2:18]4)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]
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반응물 5

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 86653864Ethyl 2-(7-(2,4-Bis(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate

생성물 1

HCID 446240662-(7-(2,4-Bis(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid

출처 및 근거

ORD 기록
ord-b90b040006514119a2b35647f606bbfd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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