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Tetrahydrofuran → ethyl 3-(3-tert-butyl-5-{[(2-fluoro-4-{[2-(methylcarbamoyl)-pyridin-4-yl]oxy}phenyl)carbamoyl]amino}-1H-pyrazol-1-yl)benzoate

HRID 2159730
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HRID 2159730 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30]2)[c:8]([NH:10][C:11](=[O:12])[O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9]1.[CH2:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[NH2:31][c:32]1[c:33]([F:49])[cH:34][c:35]([O:36][c:37]2[cH:38][c:39]([C:43](=[O:44])[NH:45][CH3:46])[n:40][cH:41][cH:42]2)[cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30]2)[c:8]([NH:10][C:11](=[O:12])[NH:31][c:32]2[c:33]([F:49])[cH:34][c:35]([O:36][c:37]3[cH:38][c:39]([C:43](=[O:44])[NH:45][CH3:46])[n:40][cH:41][cH:42]3)[cH:47][cH:48]2)[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 468352194-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamideHCID 59234717ethyl 3-{3-tert-butyl-5-[(phenoxycarbonyl)amino]-1H-pyrazol-1-yl}benzoate

생성물 1

HCID 59234716ethyl 3-(3-tert-butyl-5-{[(2-fluoro-4-{[2-(methylcarbamoyl)-pyridin-4-yl]oxy}phenyl)carbamoyl]amino}-1H-pyrazol-1-yl)benzoate

출처 및 근거

ORD 기록
ord-8b2a8cec50894a61aacd2bab7951f2f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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