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Acetate → 1-[5-(7-Pyridin-4-yl-imidazo[1,2-a]pyridin-3-yl)-pyridin-2-yl]-3-(m-trifluoromethyl-phenyl)-urea

HRID 87650
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HRID 87650 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[n:6][cH:7]1.[CH3:42][C:43](=[O:44])[O-:45].[CH:22]1([P:23]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[I:46][c:47]1[cH:48][n:49][c:50]2[n:51]1[cH:52][cH:53][c:54](-[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[cH:55]2.[K+:41].[Na+:62].[Na+:63].[O-:64][C:65](=[O:66])[O-:67].[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1>>[c:2]1(-[c:47]2[cH:48][n:49][c:50]3[n:51]2[cH:52][cH:53][c:54](-[c:56]2[cH:57][cH:58][n:59][cH:60][cH:61]2)[cH:55]3)[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium Ion2회HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 75806TricyclohexylphosphineHCID 606503781-(5-Bromopyridin-2-yl)-3-(3-(trifluoromethyl)phenyl)urea
HCID 68542143
3-Iodo-7-pyridin-4-yl-imidazo[1,2-a]pyridine

생성물 1

HCID 578634571-[5-(7-Pyridin-4-yl-imidazo[1,2-a]pyridin-3-yl)-pyridin-2-yl]-3-(m-trifluoromethyl-phenyl)-urea

출처 및 근거

ORD 기록
ord-deaf5e23dc204792abdb31284ed515f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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