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Acetate → tert-butyl N-[1-[3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate

HRID 311930
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HRID 311930 반응식
[Br:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[NH:9][c:10]2[cH:11][n:12][cH:13][cH:14][c:15]2[N:16]2[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]2)[n:6]1.[CH3:41][C:42](=[O:43])[O-:44].[CH3:52][C:53]#[N:54].[F:30][c:31]1[c:32]([B:37]([OH:38])[OH:39])[cH:33][cH:34][cH:35][cH:36]1.[K+:40].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:45]>>[c:2]1(-[c:32]2[c:31]([F:30])[cH:36][cH:35][cH:34][cH:33]2)[s:3][cH:4][c:5]([C:7](=[O:8])[NH:9][c:10]2[cH:11][n:12][cH:13][cH:14][c:15]2[N:16]2[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]2)[n:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium Ion2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 27343542-Fluorophenylboronic acid
HCID 67501061
tert-butyl N-[1-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-4-pyridinyl]piperidin-3-yl]carbamate

생성물 1

HCID 69810824tert-butyl N-[1-[3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate

출처 및 근거

ORD 기록
ord-2ff53877b7854ade946b531440a0a803
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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