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Acetonitrile → Methyl 5-(9-(3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)thiophene-2-carboxylate

HRID 200386
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HRID 200386 반응식
[Br:30][CH2:31][c:32]1[cH:33][c:34]([CH2:38][CH2:39][OH:40])[cH:35][cH:36][cH:37]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]#[N:50].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[O:8]1[CH2:9][CH2:10][N:11]([C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]([C:26](=[O:27])[O:28][CH3:29])[s:25]2)[CH2:12][C:13]12[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2>>[O:8]1[CH2:9][CH2:10][N:11]([C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]([C:26](=[O:27])[O:28][CH3:29])[s:25]2)[CH2:12][C:13]12[CH2:14][CH2:15][N:16]([CH2:31][c:32]1[cH:33][c:34]([CH2:38][CH2:39][OH:40])[cH:35][cH:36][cH:37]1)[CH2:17][CH2:18]2
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반응물 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 18999576Benzeneethanol, 3-(bromomethyl)-HCID 57989153Methyl 5-(1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)thiophene-2-carboxylate

생성물 1

HCID 57989150
Methyl 5-(9-(3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carbonyl)thiophene-2-carboxylate

출처 및 근거

ORD 기록
ord-68b7637cb97448dfba678e4f1d035e1e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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